NPASS Natural Product

Natural Product: NPC117985

Natural Product ID:	NPC117985
Common Name:	Perenniporide A
IUPAC Name:	(3'R,4R)-7-ethyl-3',8-dihydroxy-3,6-dimethoxyspiro[naphthalene-4,5'-oxolane]-1,2'-dione
Synonyms:
Molecular Formula:	C17H18O7
Standard InCHIKey:	UKDUEMGCYIGYBD-PIGZYNQJSA-N
Standard InCHI:	InChI=1S/C17H18O7/c1-4-8-12(22-2)5-9-14(15(8)20)10(18)6-13(23-3)17(9)7-11(19)16(21)24-17/h5-6,11,19-20H,4,7H2,1-3H3/t11-,17-/m1/s1
Canonical SMILES:	COC1=CC(=O)c2c([C@]31OC(=O)[C@@H](C3)O)cc(c(c2O)CC)OC
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Isolation Part	Collection Location	Collection Time	Reference
NPO33427	perenniporia sp.	Species	Polyporaceae	Eukaryota				PMID[22731892]

Biological Activity

Activity Type	# Activity
MIC	5

Activity Type	# Activity
Organism	5

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT2781	Organism	Fusarium moniliforme	Gibberella moniliformis	MIC	=	20	ug/ml	3379414
NPT637	Organism	Fusarium oxysporum	Fusarium oxysporum	MIC	=	10	ug/ml	20558060
NPT6339	Organism	Alternaria longipes	Alternaria longipes	MIC	=	10	ug/ml	24801877
NPT1276	Organism	Gibberella zeae	Gibberella zeae	MIC	=	20	ug/ml	24801877
NPT6600	Organism	Verticillium albo-atrum	Verticillium albo-atrum	MIC	=	20	ug/ml	24801877

Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

● The left chart: Distribution of similarity level between NPC117985 and all remaining natural products in the NPASS database.
● The right table: Most similar natural products (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	276
0.1-0.2	1105
0.2-0.3	2233
0.3-0.4	4515
0.4-0.5	7200
0.5-0.6	4390
0.6-0.7	3681
0.7-0.8	5284
0.8-0.85	1850
0.85-0.9	325
0.9-0.95	30
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.9434	High Similarity	NPC473094
0.9408	High Similarity	NPC179178
0.9375	High Similarity	NPC473095
0.9375	High Similarity	NPC473096
0.9295	High Similarity	NPC246466
0.9236	High Similarity	NPC470339
0.9177	High Similarity	NPC472055
0.9167	High Similarity	NPC471456
0.915	High Similarity	NPC470359
0.913	High Similarity	NPC20237
0.9125	High Similarity	NPC249181
0.9108	High Similarity	NPC472050
0.9103	High Similarity	NPC192189
0.9103	High Similarity	NPC301233
0.9097	High Similarity	NPC200773
0.9097	High Similarity	NPC240768
0.9085	High Similarity	NPC8817
0.9085	High Similarity	NPC53362
0.9085	High Similarity	NPC166583
0.9074	High Similarity	NPC283041
0.9068	High Similarity	NPC191930
0.9057	High Similarity	NPC470810
0.9051	High Similarity	NPC190020
0.9051	High Similarity	NPC77679
0.9051	High Similarity	NPC84935
0.9051	High Similarity	NPC473395
0.9045	High Similarity	NPC79998
0.9038	High Similarity	NPC115249
0.902	High Similarity	NPC260946
0.902	High Similarity	NPC470357
0.8987	High Similarity	NPC150227
0.8981	High Similarity	NPC137301
0.8981	High Similarity	NPC478231
0.8974	High Similarity	NPC70016
0.8974	High Similarity	NPC215921
0.8968	High Similarity	NPC4423
0.8968	High Similarity	NPC198927
0.8968	High Similarity	NPC77325
0.8968	High Similarity	NPC270160
0.8968	High Similarity	NPC237440
0.8963	High Similarity	NPC315306
0.8963	High Similarity	NPC313717
0.8961	High Similarity	NPC210320
0.8954	High Similarity	NPC75694
0.8938	High Similarity	NPC470358
0.8938	High Similarity	NPC313368
0.8931	High Similarity	NPC472889
0.8924	High Similarity	NPC99381
0.8924	High Similarity	NPC478230
0.8924	High Similarity	NPC170189
0.8924	High Similarity	NPC82592
0.8924	High Similarity	NPC199926
0.8924	High Similarity	NPC69043
0.8924	High Similarity	NPC208173
0.8924	High Similarity	NPC16082
0.8917	High Similarity	NPC113608
0.8917	High Similarity	NPC470337
0.8917	High Similarity	NPC184284
0.8917	High Similarity	NPC271681
0.8917	High Similarity	NPC470340
0.8917	High Similarity	NPC478224
0.8917	High Similarity	NPC268992
0.8917	High Similarity	NPC51824
0.8917	High Similarity	NPC76041
0.8917	High Similarity	NPC470338
0.891	High Similarity	NPC472891
0.891	High Similarity	NPC119929
0.8909	High Similarity	NPC472620
0.8903	High Similarity	NPC73411
0.8903	High Similarity	NPC215711
0.8889	High Similarity	NPC476822
0.8875	High Similarity	NPC477410
0.8862	High Similarity	NPC312630
0.8862	High Similarity	NPC324220
0.8861	High Similarity	NPC281477
0.8861	High Similarity	NPC155686
0.8861	High Similarity	NPC471695
0.8854	High Similarity	NPC46882
0.8854	High Similarity	NPC132990
0.8839	High Similarity	NPC137296
0.8834	High Similarity	NPC472049
0.8824	High Similarity	NPC472006
0.8824	High Similarity	NPC51106
0.8817	High Similarity	NPC208069
0.8805	High Similarity	NPC326910
0.8805	High Similarity	NPC317585
0.8805	High Similarity	NPC478221
0.8805	High Similarity	NPC68727
0.8805	High Similarity	NPC472890
0.8802	High Similarity	NPC294149
0.8797	High Similarity	NPC180944
0.8797	High Similarity	NPC167903
0.8797	High Similarity	NPC273483
0.8795	High Similarity	NPC473113
0.879	High Similarity	NPC469670
0.879	High Similarity	NPC96501
0.879	High Similarity	NPC469619
0.8788	High Similarity	NPC472619
0.8788	High Similarity	NPC191653
0.878	High Similarity	NPC165460
0.8774	High Similarity	NPC107625
0.8774	High Similarity	NPC473023
0.8766	High Similarity	NPC277426
0.8766	High Similarity	NPC280404
0.8766	High Similarity	NPC86373
0.8766	High Similarity	NPC210425
0.8765	High Similarity	NPC475148
0.8765	High Similarity	NPC475656
0.8765	High Similarity	NPC182693
0.8758	High Similarity	NPC322112
0.8758	High Similarity	NPC82913
0.875	High Similarity	NPC272550
0.875	High Similarity	NPC478223
0.875	High Similarity	NPC164427
0.8743	High Similarity	NPC98776
0.8742	High Similarity	NPC472799
0.8735	High Similarity	NPC17219
0.8727	High Similarity	NPC472622
0.872	High Similarity	NPC316262
0.872	High Similarity	NPC314653
0.872	High Similarity	NPC21016
0.872	High Similarity	NPC146584
0.8718	High Similarity	NPC202494
0.8712	High Similarity	NPC211107
0.8712	High Similarity	NPC472402
0.8712	High Similarity	NPC478229
0.871	High Similarity	NPC28632
0.8704	High Similarity	NPC243701
0.8704	High Similarity	NPC161947
0.8704	High Similarity	NPC155302
0.8701	High Similarity	NPC159721
0.8701	High Similarity	NPC471731
0.8701	High Similarity	NPC469542
0.8698	High Similarity	NPC477683
0.8698	High Similarity	NPC470334
0.8698	High Similarity	NPC477682
0.8696	High Similarity	NPC478225
0.8696	High Similarity	NPC478226
0.8693	High Similarity	NPC472604
0.8693	High Similarity	NPC67650
0.8693	High Similarity	NPC472605
0.8693	High Similarity	NPC472603
0.8693	High Similarity	NPC90411
0.8693	High Similarity	NPC1704
0.8688	High Similarity	NPC175192
0.8688	High Similarity	NPC234485
0.8684	High Similarity	NPC275356
0.8679	High Similarity	NPC253904
0.8679	High Similarity	NPC321363
0.8679	High Similarity	NPC256141
0.8671	High Similarity	NPC158866
0.8671	High Similarity	NPC225854
0.8671	High Similarity	NPC56204
0.8671	High Similarity	NPC150928
0.8671	High Similarity	NPC475717
0.8671	High Similarity	NPC470908
0.8667	High Similarity	NPC472452
0.8667	High Similarity	NPC472621
0.8667	High Similarity	NPC170245
0.8662	High Similarity	NPC172329
0.8662	High Similarity	NPC37139
0.8662	High Similarity	NPC2569
0.8659	High Similarity	NPC173587
0.8659	High Similarity	NPC475055
0.8659	High Similarity	NPC208120
0.8659	High Similarity	NPC474240
0.8654	High Similarity	NPC163846
0.8654	High Similarity	NPC225173
0.865	High Similarity	NPC87431
0.865	High Similarity	NPC478134
0.865	High Similarity	NPC317544
0.865	High Similarity	NPC478222
0.8645	High Similarity	NPC471451
0.8645	High Similarity	NPC42540
0.8645	High Similarity	NPC151607
0.8642	High Similarity	NPC45846
0.8642	High Similarity	NPC85121
0.8639	High Similarity	NPC475233
0.8636	High Similarity	NPC474385
0.8636	High Similarity	NPC471733
0.8636	High Similarity	NPC469579
0.8631	High Similarity	NPC472054
0.8631	High Similarity	NPC470335
0.8631	High Similarity	NPC470336
0.8627	High Similarity	NPC472600
0.8627	High Similarity	NPC165172
0.8627	High Similarity	NPC472601
0.8625	High Similarity	NPC312482
0.8625	High Similarity	NPC127172
0.8625	High Similarity	NPC60084
0.8623	High Similarity	NPC298778
0.8616	High Similarity	NPC474772
0.8616	High Similarity	NPC474744
0.8616	High Similarity	NPC472423
0.8616	High Similarity	NPC470569
0.8614	High Similarity	NPC150131
0.8614	High Similarity	NPC474024
0.8608	High Similarity	NPC233267
0.8608	High Similarity	NPC291049
0.8606	High Similarity	NPC112981

Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

● The left chart: Distribution of similarity level between NPC117985 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	284
0.1-0.2	860
0.2-0.3	1803
0.3-0.4	2535
0.4-0.5	1943
0.5-0.6	1106
0.6-0.7	435
0.7-0.8	166
0.8-0.85	26
0.85-0.9	3
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8954	High Similarity	NPD2533	Approved
0.8954	High Similarity	NPD2534	Approved
0.8954	High Similarity	NPD2532	Approved
0.8485	Intermediate Similarity	NPD6232	Discontinued
0.8443	Intermediate Similarity	NPD7473	Discontinued
0.8354	Intermediate Similarity	NPD7075	Discontinued
0.8333	Intermediate Similarity	NPD6801	Discontinued
0.8323	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.8293	Intermediate Similarity	NPD3882	Suspended
0.8282	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.8282	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.8263	Intermediate Similarity	NPD5711	Approved
0.8263	Intermediate Similarity	NPD5710	Approved
0.821	Intermediate Similarity	NPD4380	Phase 2
0.821	Intermediate Similarity	NPD6599	Discontinued
0.8204	Intermediate Similarity	NPD6959	Discontinued
0.8192	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.8171	Intermediate Similarity	NPD7819	Suspended
0.8153	Intermediate Similarity	NPD2800	Approved
0.8129	Intermediate Similarity	NPD5844	Phase 1
0.8125	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.8121	Intermediate Similarity	NPD3817	Phase 2
0.811	Intermediate Similarity	NPD1934	Approved
0.8092	Intermediate Similarity	NPD6559	Discontinued
0.807	Intermediate Similarity	NPD3818	Discontinued
0.8063	Intermediate Similarity	NPD6799	Approved
0.8059	Intermediate Similarity	NPD6166	Phase 2
0.8059	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.8059	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.7966	Intermediate Similarity	NPD8150	Discontinued
0.7964	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7952	Intermediate Similarity	NPD2801	Approved
0.7943	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.7929	Intermediate Similarity	NPD5494	Approved
0.7919	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.7904	Intermediate Similarity	NPD5402	Approved
0.7892	Intermediate Similarity	NPD37	Approved
0.787	Intermediate Similarity	NPD6234	Discontinued
0.787	Intermediate Similarity	NPD919	Approved
0.7865	Intermediate Similarity	NPD8434	Phase 2
0.7857	Intermediate Similarity	NPD4967	Phase 2
0.7857	Intermediate Similarity	NPD4966	Approved
0.7857	Intermediate Similarity	NPD4965	Approved
0.7853	Intermediate Similarity	NPD1512	Approved
0.7829	Intermediate Similarity	NPD6797	Phase 2
0.7829	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.7811	Intermediate Similarity	NPD3749	Approved
0.7811	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.7805	Intermediate Similarity	NPD920	Approved
0.7784	Intermediate Similarity	NPD7251	Discontinued
0.7778	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.7771	Intermediate Similarity	NPD7074	Phase 3
0.7771	Intermediate Similarity	NPD1607	Approved
0.7764	Intermediate Similarity	NPD4628	Phase 3
0.7754	Intermediate Similarity	NPD7435	Discontinued
0.774	Intermediate Similarity	NPD7808	Phase 3
0.7738	Intermediate Similarity	NPD1465	Phase 2
0.7736	Intermediate Similarity	NPD2935	Discontinued
0.773	Intermediate Similarity	NPD1511	Approved
0.7725	Intermediate Similarity	NPD7411	Suspended
0.7714	Intermediate Similarity	NPD7054	Approved
0.7711	Intermediate Similarity	NPD3226	Approved
0.7709	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.7707	Intermediate Similarity	NPD230	Phase 1
0.7697	Intermediate Similarity	NPD5403	Approved
0.7692	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.7688	Intermediate Similarity	NPD6776	Approved
0.7688	Intermediate Similarity	NPD6782	Approved
0.7688	Intermediate Similarity	NPD6779	Approved
0.7688	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.7688	Intermediate Similarity	NPD6781	Approved
0.7688	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.7688	Intermediate Similarity	NPD6778	Approved
0.7688	Intermediate Similarity	NPD6777	Approved
0.7688	Intermediate Similarity	NPD6780	Approved
0.7674	Intermediate Similarity	NPD1247	Approved
0.7673	Intermediate Similarity	NPD1510	Phase 2
0.7673	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.767	Intermediate Similarity	NPD7472	Approved
0.7658	Intermediate Similarity	NPD6651	Approved
0.7657	Intermediate Similarity	NPD7228	Approved
0.7657	Intermediate Similarity	NPD3751	Discontinued
0.7654	Intermediate Similarity	NPD3750	Approved
0.7654	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.7654	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7644	Intermediate Similarity	NPD8151	Discontinued
0.7643	Intermediate Similarity	NPD1240	Approved
0.764	Intermediate Similarity	NPD1549	Phase 2
0.7598	Intermediate Similarity	NPD8312	Approved
0.7598	Intermediate Similarity	NPD8313	Approved
0.7593	Intermediate Similarity	NPD1243	Approved
0.7578	Intermediate Similarity	NPD2346	Discontinued
0.7576	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.7576	Intermediate Similarity	NPD642	Clinical (unspecified phase)
0.7576	Intermediate Similarity	NPD5401	Approved
0.7562	Intermediate Similarity	NPD651	Clinical (unspecified phase)
0.7544	Intermediate Similarity	NPD7768	Phase 2
0.7543	Intermediate Similarity	NPD2403	Approved
0.7543	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.7529	Intermediate Similarity	NPD3787	Discontinued
0.7516	Intermediate Similarity	NPD1699	Clinical (unspecified phase)
0.7516	Intermediate Similarity	NPD1551	Phase 2
0.7516	Intermediate Similarity	NPD2796	Approved
0.7515	Intermediate Similarity	NPD7390	Discontinued
0.7513	Intermediate Similarity	NPD7874	Approved
0.7513	Intermediate Similarity	NPD7875	Clinical (unspecified phase)
0.7486	Intermediate Similarity	NPD3926	Phase 2
0.7486	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7474	Intermediate Similarity	NPD7698	Approved
0.7474	Intermediate Similarity	NPD7697	Approved
0.7474	Intermediate Similarity	NPD7696	Phase 3
0.7471	Intermediate Similarity	NPD7199	Phase 2
0.7455	Intermediate Similarity	NPD643	Clinical (unspecified phase)
0.7435	Intermediate Similarity	NPD7870	Phase 2
0.7435	Intermediate Similarity	NPD7871	Phase 2
0.7419	Intermediate Similarity	NPD6535	Approved
0.7419	Intermediate Similarity	NPD6534	Approved
0.7416	Intermediate Similarity	NPD7286	Phase 2
0.7409	Intermediate Similarity	NPD7701	Phase 2
0.7407	Intermediate Similarity	NPD6099	Approved
0.7407	Intermediate Similarity	NPD6100	Approved
0.7394	Intermediate Similarity	NPD6190	Approved
0.7381	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7378	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7356	Intermediate Similarity	NPD5537	Clinical (unspecified phase)
0.7346	Intermediate Similarity	NPD3748	Approved
0.7346	Intermediate Similarity	NPD2799	Discontinued
0.7344	Intermediate Similarity	NPD8319	Approved
0.7344	Intermediate Similarity	NPD8320	Phase 1
0.7333	Intermediate Similarity	NPD5953	Discontinued
0.733	Intermediate Similarity	NPD7229	Phase 3
0.7312	Intermediate Similarity	NPD4060	Phase 1
0.7312	Intermediate Similarity	NPD943	Approved
0.7302	Intermediate Similarity	NPD7700	Phase 2
0.7302	Intermediate Similarity	NPD7699	Phase 2
0.7296	Intermediate Similarity	NPD7783	Phase 2
0.7296	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7296	Intermediate Similarity	NPD7782	Clinical (unspecified phase)
0.7296	Intermediate Similarity	NPD7801	Approved
0.7294	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7293	Intermediate Similarity	NPD7240	Approved
0.7267	Intermediate Similarity	NPD447	Suspended
0.7262	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7253	Intermediate Similarity	NPD4419	Clinical (unspecified phase)
0.7249	Intermediate Similarity	NPD8090	Clinical (unspecified phase)
0.724	Intermediate Similarity	NPD6823	Phase 2
0.7202	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7195	Intermediate Similarity	NPD5404	Approved
0.7195	Intermediate Similarity	NPD5406	Approved
0.7195	Intermediate Similarity	NPD5408	Approved
0.7195	Intermediate Similarity	NPD5405	Approved
0.7193	Intermediate Similarity	NPD7458	Discontinued
0.7188	Intermediate Similarity	NPD3764	Approved
0.716	Intermediate Similarity	NPD7422	Clinical (unspecified phase)
0.716	Intermediate Similarity	NPD6355	Discontinued
0.7152	Intermediate Similarity	NPD5762	Approved
0.7152	Intermediate Similarity	NPD2344	Approved
0.7152	Intermediate Similarity	NPD5763	Approved
0.7143	Intermediate Similarity	NPD8155	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD4626	Approved
0.7134	Intermediate Similarity	NPD7033	Discontinued
0.7125	Intermediate Similarity	NPD3027	Phase 3
0.7108	Intermediate Similarity	NPD2424	Discontinued
0.7104	Intermediate Similarity	NPD7685	Pre-registration
0.7091	Intermediate Similarity	NPD2438	Suspended
0.7086	Intermediate Similarity	NPD5353	Approved
0.7081	Intermediate Similarity	NPD2313	Discontinued
0.7081	Intermediate Similarity	NPD6410	Clinical (unspecified phase)
0.7078	Intermediate Similarity	NPD5691	Approved
0.7072	Intermediate Similarity	NPD7893	Clinical (unspecified phase)
0.7066	Intermediate Similarity	NPD2654	Approved
0.7059	Intermediate Similarity	NPD8366	Approved
0.7055	Intermediate Similarity	NPD5124	Phase 1
0.7055	Intermediate Similarity	NPD5123	Clinical (unspecified phase)
0.7048	Intermediate Similarity	NPD6002	Phase 3
0.7048	Intermediate Similarity	NPD1471	Phase 3
0.7048	Intermediate Similarity	NPD6003	Clinical (unspecified phase)
0.7048	Intermediate Similarity	NPD6004	Phase 3
0.7048	Intermediate Similarity	NPD6006	Clinical (unspecified phase)
0.7048	Intermediate Similarity	NPD6005	Phase 3
0.7047	Intermediate Similarity	NPD7501	Clinical (unspecified phase)
0.7044	Intermediate Similarity	NPD6917	Clinical (unspecified phase)
0.7041	Intermediate Similarity	NPD3300	Phase 2
0.7029	Intermediate Similarity	NPD5760	Phase 2
0.7029	Intermediate Similarity	NPD5761	Phase 2
0.7025	Intermediate Similarity	NPD1283	Approved
0.7024	Intermediate Similarity	NPD7982	Clinical (unspecified phase)
0.7024	Intermediate Similarity	NPD7003	Approved
0.7019	Intermediate Similarity	NPD4625	Phase 3
0.7018	Intermediate Similarity	NPD6273	Approved
0.7015	Intermediate Similarity	NPD7930	Approved
0.7011	Intermediate Similarity	NPD6764	Approved
0.7011	Intermediate Similarity	NPD6765	Approved
0.7006	Intermediate Similarity	NPD9269	Phase 2
0.7	Intermediate Similarity	NPD5242	Approved
0.6994	Remote Similarity	NPD1613	Approved
0.6994	Remote Similarity	NPD2979	Phase 3
0.6994	Remote Similarity	NPD1612	Clinical (unspecified phase)
0.6989	Remote Similarity	NPD7090	Clinical (unspecified phase)
0.6982	Remote Similarity	NPD2309	Approved

Structure

NPC117985 OpenBabel07101719152D 24 26 0 0 1 0 0 0 0 0999 V2000 -4.3776 3.4067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7796 3.9067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0475 -2.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3776 2.4067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7796 1.9067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7796 -1.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8090 1.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5116 1.9067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7796 0.9067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6456 -0.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1691 1.6092 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6456 2.4067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9135 -0.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6456 0.4067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5116 0.9067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6691 0.7431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9135 0.4067 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5116 -1.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5759 2.5227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3776 0.4067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6637 0.6386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6456 3.4067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0475 -1.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 2 22 1 0 0 0 0 3 23 1 0 0 0 0 4 8 1 0 0 0 0 5 9 2 0 0 0 0 5 12 1 0 0 0 0 6 10 1 0 0 0 0 6 13 2 0 0 0 0 7 11 1 0 0 0 0 8 12 2 0 0 0 0 8 15 1 0 0 0 0 9 14 1 0 0 0 0 9 17 1 0 0 0 0 10 14 1 0 0 0 0 10 18 2 0 0 0 0 11 16 1 0 0 0 0 11 19 1 1 0 0 0 12 22 1 0 0 0 0 13 17 1 0 0 0 0 13 23 1 0 0 0 0 14 15 2 0 0 0 0 15 20 1 0 0 0 0 16 21 2 0 0 0 0 16 24 1 0 0 0 0 17 7 1 6 0 0 0 17 24 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	60199563
ChEMBL	CHEMBL2253041
ZINC

Physicochemical Properties

Molecular Weight:	334.11
ALogP:	-1.3443
MLogP:	2.56
XLogP:	0.696
# Rotatable Bonds:	8
Polar Surface Area:	102.29
# H-Bond Aceptor:	5
# H-Bond Donor:	2
# Rings:	3
# Heavy Atoms:	24

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