NPASS Natural Product

Natural Product: NPC195922

Natural Product ID:	NPC195922
Common Name:	12-Hydroxy Simonellite
IUPAC Name:	8,8-dimethyl-2-propan-2-yl-6,7-dihydro-5H-phenanthren-3-ol
Synonyms:
Molecular Formula:	C19H24O
Standard InCHIKey:	KIOQDQQTKPLWKV-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C19H24O/c1-12(2)15-10-13-7-8-17-14(16(13)11-18(15)20)6-5-9-19(17,3)4/h7-8,10-12,20H,5-6,9H2,1-4H3
Canonical SMILES:	CC(c1cc2ccc3c(c2cc1O)CCCC3(C)C)C
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
NPO18892	Salvinia molesta	Species	Salviniaceae	Eukaryota	Whole Plants	East Texas, USA	2009-2011	PMID[24210499]

Biological Activity

Activity Type	# Activity
GI50	6

Activity Type	# Activity
Cell Line	4
Others	2

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT81	Cell Line	A549	Homo sapiens	GI50	=	42220	nM	22652254
NPT2	Others	Unspecified		GI50	=	36420	nM	1517742
NPT306	Cell Line	PC-3	Homo sapiens	GI50	=	43600	nM	22413887
NPT2	Others	Unspecified		GI50	=	37530	nM	17325223
NPT171	Cell Line	MRC5	Homo sapiens	GI50	=	55360	nM	20000781
NPT116	Cell Line	HL-60	Homo sapiens	GI50	=	50010	nM	DrugMatrix in vitro pharmacology data

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 NPC195922 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	272
0.1-0.2	1396
0.2-0.3	2129
0.3-0.4	6594
0.4-0.5	7000
0.5-0.6	6724
0.6-0.7	5235
0.7-0.8	1247
0.8-0.85	181
0.85-0.9	68
0.9-0.95	35
0.95-1	8

Similarity Score	Similarity Level	Natural Product ID
0.972	High Similarity	NPC715
0.9717	High Similarity	NPC176279
0.9717	High Similarity	NPC260323
0.9626	High Similarity	NPC46940
0.9626	High Similarity	NPC250323
0.9623	High Similarity	NPC141782
0.9533	High Similarity	NPC95716
0.9528	High Similarity	NPC58865
0.9439	High Similarity	NPC13482
0.9364	High Similarity	NPC192948
0.9364	High Similarity	NPC35797
0.9346	High Similarity	NPC314187
0.934	High Similarity	NPC151477
0.9279	High Similarity	NPC471668
0.9279	High Similarity	NPC219112
0.9279	High Similarity	NPC308311
0.9279	High Similarity	NPC477137
0.9279	High Similarity	NPC38893
0.9273	High Similarity	NPC268160
0.9252	High Similarity	NPC11554
0.9196	High Similarity	NPC477136
0.9196	High Similarity	NPC172219
0.9196	High Similarity	NPC304510
0.9189	High Similarity	NPC147179
0.9182	High Similarity	NPC322239
0.9174	High Similarity	NPC322753
0.9174	High Similarity	NPC151537
0.9151	High Similarity	NPC117115
0.9115	High Similarity	NPC471671
0.9107	High Similarity	NPC308828
0.9107	High Similarity	NPC469663
0.9107	High Similarity	NPC92
0.9065	High Similarity	NPC21594
0.9065	High Similarity	NPC271274
0.9057	High Similarity	NPC238696
0.9052	High Similarity	NPC176208
0.9035	High Similarity	NPC93071
0.9035	High Similarity	NPC126002
0.9035	High Similarity	NPC469644
0.9027	High Similarity	NPC16030
0.9027	High Similarity	NPC299180
0.9018	High Similarity	NPC469719
0.9	High Similarity	NPC77772
0.8947	High Similarity	NPC469609
0.8909	High Similarity	NPC296683
0.8879	High Similarity	NPC259703
0.8879	High Similarity	NPC32322
0.8839	High Similarity	NPC321589
0.8829	High Similarity	NPC470770
0.8829	High Similarity	NPC266937
0.8803	High Similarity	NPC249340
0.8803	High Similarity	NPC162935
0.8796	High Similarity	NPC138942
0.8793	High Similarity	NPC260832
0.8793	High Similarity	NPC135467
0.8785	High Similarity	NPC168829
0.8783	High Similarity	NPC154030
0.8774	High Similarity	NPC211885
0.8774	High Similarity	NPC225506
0.8772	High Similarity	NPC141001
0.8761	High Similarity	NPC471534
0.8761	High Similarity	NPC249270
0.875	High Similarity	NPC177962
0.875	High Similarity	NPC62867
0.875	High Similarity	NPC228425
0.8739	High Similarity	NPC132720
0.8729	High Similarity	NPC11250
0.8729	High Similarity	NPC297057
0.8718	High Similarity	NPC241001
0.8707	High Similarity	NPC151197
0.8707	High Similarity	NPC176893
0.8704	High Similarity	NPC288411
0.8692	High Similarity	NPC51015
0.8692	High Similarity	NPC252105
0.8689	High Similarity	NPC276238
0.8684	High Similarity	NPC84999
0.8684	High Similarity	NPC246760
0.8679	High Similarity	NPC122005
0.8679	High Similarity	NPC299762
0.8679	High Similarity	NPC33675
0.8679	High Similarity	NPC252821
0.8673	High Similarity	NPC317869
0.8655	High Similarity	NPC471187
0.8644	High Similarity	NPC253627
0.8644	High Similarity	NPC154696
0.8636	High Similarity	NPC320439
0.8632	High Similarity	NPC103916
0.8621	High Similarity	NPC164649
0.8621	High Similarity	NPC48342
0.8621	High Similarity	NPC206
0.8609	High Similarity	NPC261973
0.8596	High Similarity	NPC107240
0.8585	High Similarity	NPC79241
0.8585	High Similarity	NPC6597
0.8585	High Similarity	NPC156313
0.8585	High Similarity	NPC32674
0.8585	High Similarity	NPC77492
0.8585	High Similarity	NPC225464
0.8584	High Similarity	NPC471179
0.8583	High Similarity	NPC181334
0.8571	High Similarity	NPC471794
0.8571	High Similarity	NPC121168
0.8571	High Similarity	NPC71094
0.8559	High Similarity	NPC328504
0.8547	High Similarity	NPC42657
0.8545	High Similarity	NPC54765
0.8534	High Similarity	NPC25648
0.8512	High Similarity	NPC137750
0.8509	High Similarity	NPC117846
0.8505	High Similarity	NPC92730
0.85	High Similarity	NPC198014
0.8491	Intermediate Similarity	NPC312132
0.8491	Intermediate Similarity	NPC259512
0.8475	Intermediate Similarity	NPC190501
0.8475	Intermediate Similarity	NPC99734
0.8475	Intermediate Similarity	NPC318552
0.8455	Intermediate Similarity	NPC219286
0.8455	Intermediate Similarity	NPC99557
0.8455	Intermediate Similarity	NPC47284
0.8455	Intermediate Similarity	NPC243601
0.8448	Intermediate Similarity	NPC154511
0.8448	Intermediate Similarity	NPC312105
0.8448	Intermediate Similarity	NPC474387
0.8448	Intermediate Similarity	NPC247858
0.8448	Intermediate Similarity	NPC257540
0.8448	Intermediate Similarity	NPC137496
0.8448	Intermediate Similarity	NPC474358
0.8443	Intermediate Similarity	NPC43000
0.8443	Intermediate Similarity	NPC321822
0.8443	Intermediate Similarity	NPC100414
0.8443	Intermediate Similarity	NPC325294
0.843	Intermediate Similarity	NPC224342
0.8426	Intermediate Similarity	NPC72729
0.8417	Intermediate Similarity	NPC478058
0.8417	Intermediate Similarity	NPC152946
0.8403	Intermediate Similarity	NPC129176
0.8396	Intermediate Similarity	NPC144682
0.8396	Intermediate Similarity	NPC222146
0.8396	Intermediate Similarity	NPC8392
0.8393	Intermediate Similarity	NPC64586
0.8393	Intermediate Similarity	NPC95344
0.8393	Intermediate Similarity	NPC262365
0.8378	Intermediate Similarity	NPC53740
0.8376	Intermediate Similarity	NPC470760
0.8374	Intermediate Similarity	NPC69424
0.8374	Intermediate Similarity	NPC176130
0.8374	Intermediate Similarity	NPC78364
0.8374	Intermediate Similarity	NPC471077
0.8374	Intermediate Similarity	NPC84672
0.8374	Intermediate Similarity	NPC108164
0.8364	Intermediate Similarity	NPC254965
0.8364	Intermediate Similarity	NPC327811
0.8364	Intermediate Similarity	NPC272029
0.8361	Intermediate Similarity	NPC76119
0.8361	Intermediate Similarity	NPC87985
0.8361	Intermediate Similarity	NPC124030
0.8361	Intermediate Similarity	NPC4286
0.8348	Intermediate Similarity	NPC263753
0.8333	Intermediate Similarity	NPC225679
0.8333	Intermediate Similarity	NPC165770
0.8333	Intermediate Similarity	NPC224527
0.8333	Intermediate Similarity	NPC469912
0.8333	Intermediate Similarity	NPC4493
0.8333	Intermediate Similarity	NPC77569
0.8333	Intermediate Similarity	NPC142198
0.8333	Intermediate Similarity	NPC476632
0.8319	Intermediate Similarity	NPC475245
0.8319	Intermediate Similarity	NPC478121
0.8318	Intermediate Similarity	NPC473388
0.8318	Intermediate Similarity	NPC82664
0.8318	Intermediate Similarity	NPC216520
0.8318	Intermediate Similarity	NPC132271
0.8318	Intermediate Similarity	NPC292730
0.8306	Intermediate Similarity	NPC96024
0.8305	Intermediate Similarity	NPC328694
0.8304	Intermediate Similarity	NPC472979
0.8304	Intermediate Similarity	NPC27252
0.8302	Intermediate Similarity	NPC76938
0.8302	Intermediate Similarity	NPC289769
0.8302	Intermediate Similarity	NPC245187
0.8302	Intermediate Similarity	NPC316301
0.8302	Intermediate Similarity	NPC152415
0.8302	Intermediate Similarity	NPC27323
0.8291	Intermediate Similarity	NPC115808
0.8273	Intermediate Similarity	NPC233827
0.8273	Intermediate Similarity	NPC168393
0.8273	Intermediate Similarity	NPC269212
0.8261	Intermediate Similarity	NPC302371
0.8261	Intermediate Similarity	NPC43525
0.8261	Intermediate Similarity	NPC166995
0.8246	Intermediate Similarity	NPC224870
0.8246	Intermediate Similarity	NPC44732
0.8235	Intermediate Similarity	NPC323074
0.823	Intermediate Similarity	NPC64642
0.823	Intermediate Similarity	NPC233835
0.823	Intermediate Similarity	NPC149455
0.823	Intermediate Similarity	NPC472982
0.8226	Intermediate Similarity	NPC72667
0.8224	Intermediate Similarity	NPC274678
0.8224	Intermediate Similarity	NPC32714

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC195922 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	292
0.1-0.2	1062
0.2-0.3	909
0.3-0.4	2684
0.4-0.5	2276
0.5-0.6	1305
0.6-0.7	490
0.7-0.8	116
0.8-0.85	23
0.85-0.9	3
0.9-0.95	1
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.9159	High Similarity	NPD2342	Discontinued
0.8919	High Similarity	NPD7635	Approved
0.8621	High Similarity	NPD3091	Approved
0.8505	High Similarity	NPD3020	Approved
0.8491	Intermediate Similarity	NPD288	Approved
0.8475	Intermediate Similarity	NPD3019	Approved
0.8475	Intermediate Similarity	NPD4059	Approved
0.8396	Intermediate Similarity	NPD1809	Phase 2
0.8396	Intermediate Similarity	NPD844	Approved
0.8333	Intermediate Similarity	NPD3092	Approved
0.8319	Intermediate Similarity	NPD2286	Discontinued
0.8319	Intermediate Similarity	NPD2932	Approved
0.8302	Intermediate Similarity	NPD1432	Clinical (unspecified phase)
0.8235	Intermediate Similarity	NPD4093	Discontinued
0.8224	Intermediate Similarity	NPD2859	Approved
0.8224	Intermediate Similarity	NPD2860	Approved
0.8208	Intermediate Similarity	NPD845	Approved
0.8167	Intermediate Similarity	NPD3095	Discontinued
0.8158	Intermediate Similarity	NPD3021	Approved
0.8158	Intermediate Similarity	NPD3022	Approved
0.8131	Intermediate Similarity	NPD2933	Approved
0.8131	Intermediate Similarity	NPD2934	Approved
0.8091	Intermediate Similarity	NPD289	Clinical (unspecified phase)
0.8065	Intermediate Similarity	NPD3094	Phase 2
0.8049	Intermediate Similarity	NPD3600	Clinical (unspecified phase)
0.8017	Intermediate Similarity	NPD1751	Approved
0.8	Intermediate Similarity	NPD4750	Phase 3
0.7953	Intermediate Similarity	NPD5155	Approved
0.7953	Intermediate Similarity	NPD5156	Approved
0.7937	Intermediate Similarity	NPD5736	Approved
0.7923	Intermediate Similarity	NPD4097	Suspended
0.7874	Intermediate Similarity	NPD2606	Approved
0.7874	Intermediate Similarity	NPD2605	Approved
0.7869	Intermediate Similarity	NPD4589	Approved
0.7833	Intermediate Similarity	NPD7325	Clinical (unspecified phase)
0.7815	Intermediate Similarity	NPD497	Approved
0.7812	Intermediate Similarity	NPD4625	Phase 3
0.7805	Intermediate Similarity	NPD3023	Approved
0.7805	Intermediate Similarity	NPD3026	Approved
0.7795	Intermediate Similarity	NPD3636	Approved
0.7795	Intermediate Similarity	NPD3635	Approved
0.7795	Intermediate Similarity	NPD3637	Approved
0.7788	Intermediate Similarity	NPD5700	Clinical (unspecified phase)
0.7787	Intermediate Similarity	NPD3025	Approved
0.7787	Intermediate Similarity	NPD3024	Approved
0.7734	Intermediate Similarity	NPD3595	Approved
0.7734	Intermediate Similarity	NPD3594	Approved
0.7731	Intermediate Similarity	NPD498	Approved
0.7731	Intermediate Similarity	NPD495	Approved
0.7731	Intermediate Similarity	NPD496	Approved
0.7724	Intermediate Similarity	NPD4626	Approved
0.7717	Intermediate Similarity	NPD4624	Approved
0.7717	Intermediate Similarity	NPD2195	Approved
0.7717	Intermediate Similarity	NPD2194	Approved
0.7705	Intermediate Similarity	NPD5304	Approved
0.7705	Intermediate Similarity	NPD5303	Approved
0.7692	Intermediate Similarity	NPD6663	Approved
0.7692	Intermediate Similarity	NPD1792	Phase 2
0.76	Intermediate Similarity	NPD1201	Approved
0.7583	Intermediate Similarity	NPD4869	Clinical (unspecified phase)
0.7563	Intermediate Similarity	NPD6124	Clinical (unspecified phase)
0.7559	Intermediate Similarity	NPD1283	Approved
0.7544	Intermediate Similarity	NPD846	Approved
0.7544	Intermediate Similarity	NPD940	Approved
0.7518	Intermediate Similarity	NPD7003	Approved
0.75	Intermediate Similarity	NPD3619	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD4060	Phase 1
0.75	Intermediate Similarity	NPD1651	Approved
0.75	Intermediate Similarity	NPD4339	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD3620	Phase 2
0.7481	Intermediate Similarity	NPD5404	Approved
0.7481	Intermediate Similarity	NPD5408	Approved
0.7481	Intermediate Similarity	NPD5406	Approved
0.7481	Intermediate Similarity	NPD5405	Approved
0.748	Intermediate Similarity	NPD5327	Phase 3
0.7456	Intermediate Similarity	NPD1242	Phase 1
0.7453	Intermediate Similarity	NPD111	Approved
0.7438	Intermediate Similarity	NPD2229	Approved
0.7438	Intermediate Similarity	NPD2234	Approved
0.7438	Intermediate Similarity	NPD2228	Approved
0.7438	Intermediate Similarity	NPD7159	Clinical (unspecified phase)
0.7436	Intermediate Similarity	NPD1444	Approved
0.7436	Intermediate Similarity	NPD1445	Approved
0.7422	Intermediate Similarity	NPD6696	Suspended
0.7419	Intermediate Similarity	NPD2226	Clinical (unspecified phase)
0.7407	Intermediate Similarity	NPD7743	Approved
0.7407	Intermediate Similarity	NPD7742	Approved
0.7368	Intermediate Similarity	NPD4140	Approved
0.7364	Intermediate Similarity	NPD1470	Approved
0.736	Intermediate Similarity	NPD5691	Approved
0.7348	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.7333	Intermediate Similarity	NPD7718	Clinical (unspecified phase)
0.7323	Intermediate Similarity	NPD5351	Clinical (unspecified phase)
0.7323	Intermediate Similarity	NPD5350	Clinical (unspecified phase)
0.7323	Intermediate Similarity	NPD1281	Approved
0.7313	Intermediate Similarity	NPD5735	Approved
0.7308	Intermediate Similarity	NPD6917	Clinical (unspecified phase)
0.7299	Intermediate Similarity	NPD4725	Approved
0.7299	Intermediate Similarity	NPD4726	Approved
0.7299	Intermediate Similarity	NPD4721	Approved
0.728	Intermediate Similarity	NPD7330	Discontinued
0.7279	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.7259	Intermediate Similarity	NPD6353	Approved
0.7258	Intermediate Similarity	NPD7340	Approved
0.7252	Intermediate Similarity	NPD2861	Phase 2
0.7236	Intermediate Similarity	NPD5951	Approved
0.7234	Intermediate Similarity	NPD2420	Approved
0.7234	Intermediate Similarity	NPD7390	Discontinued
0.7234	Intermediate Similarity	NPD2421	Approved
0.7218	Intermediate Similarity	NPD6812	Clinical (unspecified phase)
0.7218	Intermediate Similarity	NPD6410	Clinical (unspecified phase)
0.7209	Intermediate Similarity	NPD1669	Approved
0.7209	Intermediate Similarity	NPD4749	Approved
0.7197	Intermediate Similarity	NPD4908	Phase 1
0.7194	Intermediate Similarity	NPD3638	Discontinued
0.7188	Intermediate Similarity	NPD1611	Approved
0.7183	Intermediate Similarity	NPD7422	Clinical (unspecified phase)
0.7177	Intermediate Similarity	NPD6671	Approved
0.7177	Intermediate Similarity	NPD709	Approved
0.7155	Intermediate Similarity	NPD3028	Approved
0.7154	Intermediate Similarity	NPD1398	Phase 1
0.7154	Intermediate Similarity	NPD5283	Phase 1
0.7153	Intermediate Similarity	NPD3299	Clinical (unspecified phase)
0.7113	Intermediate Similarity	NPD7040	Clinical (unspecified phase)
0.7113	Intermediate Similarity	NPD7041	Phase 2
0.7097	Intermediate Similarity	NPD1791	Approved
0.7097	Intermediate Similarity	NPD1793	Approved
0.7092	Intermediate Similarity	NPD7910	Clinical (unspecified phase)
0.7087	Intermediate Similarity	NPD4196	Clinical (unspecified phase)
0.7087	Intermediate Similarity	NPD4235	Clinical (unspecified phase)
0.7071	Intermediate Similarity	NPD5698	Clinical (unspecified phase)
0.7054	Intermediate Similarity	NPD1610	Phase 2
0.7045	Intermediate Similarity	NPD6584	Phase 3
0.7037	Intermediate Similarity	NPD8032	Phase 2
0.7034	Intermediate Similarity	NPD9500	Approved
0.7031	Intermediate Similarity	NPD5238	Clinical (unspecified phase)
0.7021	Intermediate Similarity	NPD8166	Discontinued
0.7015	Intermediate Similarity	NPD7095	Approved
0.7007	Intermediate Similarity	NPD4579	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD2230	Approved
0.7	Intermediate Similarity	NPD7037	Approved
0.7	Intermediate Similarity	NPD2233	Approved
0.7	Intermediate Similarity	NPD2232	Approved
0.6985	Remote Similarity	NPD3110	Approved
0.6985	Remote Similarity	NPD2979	Phase 3
0.6985	Remote Similarity	NPD3109	Approved
0.6978	Remote Similarity	NPD6100	Approved
0.6978	Remote Similarity	NPD6099	Approved
0.6977	Remote Similarity	NPD2688	Clinical (unspecified phase)
0.6977	Remote Similarity	NPD1980	Approved
0.6977	Remote Similarity	NPD1981	Approved
0.6977	Remote Similarity	NPD1983	Approved
0.6977	Remote Similarity	NPD3143	Discontinued
0.697	Remote Similarity	NPD1164	Approved
0.6967	Remote Similarity	NPD5451	Approved
0.6963	Remote Similarity	NPD2028	Clinical (unspecified phase)
0.696	Remote Similarity	NPD1476	Clinical (unspecified phase)
0.6944	Remote Similarity	NPD4160	Clinical (unspecified phase)
0.6906	Remote Similarity	NPD4108	Discontinued
0.6899	Remote Similarity	NPD7163	Clinical (unspecified phase)
0.6879	Remote Similarity	NPD4257	Approved
0.6879	Remote Similarity	NPD4256	Phase 2
0.687	Remote Similarity	NPD3070	Discontinued
0.6864	Remote Similarity	NPD1616	Discontinued
0.6861	Remote Similarity	NPD6346	Approved
0.6855	Remote Similarity	NPD228	Approved
0.685	Remote Similarity	NPD405	Clinical (unspecified phase)
0.685	Remote Similarity	NPD7636	Approved
0.6838	Remote Similarity	NPD7294	Phase 1
0.6833	Remote Similarity	NPD9610	Approved
0.6833	Remote Similarity	NPD9608	Approved
0.6831	Remote Similarity	NPD2211	Approved
0.6831	Remote Similarity	NPD2209	Approved
0.6828	Remote Similarity	NPD3645	Discontinued
0.6818	Remote Similarity	NPD6583	Phase 3
0.6818	Remote Similarity	NPD4659	Approved
0.6818	Remote Similarity	NPD6582	Phase 2
0.6812	Remote Similarity	NPD3657	Discovery
0.6809	Remote Similarity	NPD2029	Clinical (unspecified phase)
0.6806	Remote Similarity	NPD3845	Phase 1
0.68	Remote Similarity	NPD5535	Approved
0.6781	Remote Similarity	NPD6273	Approved
0.6772	Remote Similarity	NPD6387	Discontinued
0.6772	Remote Similarity	NPD7157	Approved
0.6769	Remote Similarity	NPD2668	Approved
0.6769	Remote Similarity	NPD2667	Approved
0.6767	Remote Similarity	NPD8651	Approved
0.6763	Remote Similarity	NPD2157	Approved
0.6757	Remote Similarity	NPD5808	Clinical (unspecified phase)
0.6757	Remote Similarity	NPD7458	Discontinued
0.6744	Remote Similarity	NPD1548	Phase 1
0.6744	Remote Similarity	NPD7741	Discontinued
0.6741	Remote Similarity	NPD4208	Discontinued
0.6738	Remote Similarity	NPD1632	Clinical (unspecified phase)
0.6738	Remote Similarity	NPD2935	Discontinued
0.6738	Remote Similarity	NPD2531	Phase 2
0.6738	Remote Similarity	NPD2438	Suspended
0.6736	Remote Similarity	NPD8131	Suspended
0.6716	Remote Similarity	NPD3053	Approved
0.6716	Remote Similarity	NPD2797	Approved

Structure

External Identifiers

PubChem CID	16069757
ChEMBL	CHEMBL3093127
ZINC

Physicochemical Properties

Molecular Weight:	268.18
ALogP:	0.8636
MLogP:	3.44
XLogP:	7.667
# Rotatable Bonds:	6
Polar Surface Area:	20.23
# H-Bond Aceptor:	0
# H-Bond Donor:	1
# Rings:	3
# Heavy Atoms:	20

Download Data

Data Type	Select
General Info & Identifiers & Properties
Structure MOL file
Source Organisms
Biological Activities
Similar NPs/Drugs