NPASS Natural Product

Natural Product: NPC265580

Natural Product ID:	NPC265580
Common Name:	Norrisolide
IUPAC Name:	[(2R,3R,3aR,6aR)-3-[1-[(1R,3aS,7aS)-4,4,7a-trimethyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]ethenyl]-5-oxo-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-2-yl] acetate
Synonyms:	Norrisolide
Molecular Formula:	C22H32O5
Standard InCHIKey:	RNRGYNNIISFTDF-IFEZDQECSA-N
Standard InCHI:	InChI=1S/C22H32O5/c1-12(15-7-8-16-21(3,4)9-6-10-22(15,16)5)18-14-11-17(24)26-19(14)27-20(18)25-13(2)23/h14-16,18-20H,1,6-11H2,2-5H3/t14-,15-,16+,18+,19+,20+,22-/m1/s1
Canonical SMILES:	CC(=O)O[C@H]1O[C@H]2[C@@H]([C@@H]1C(=C)[C@H]1CC[C@@H]3[C@]1(C)CCCC3(C)C)CC(=O)O2
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
NPO26069	Chromodoris norrisi	Species	Chromodorididae	Eukaryota		Palau		J. Org. Chem.,1983,48: 1411

Biological Activity

Activity Type	# Activity
Others	1

Activity Type	# Activity
Others	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT2	Others	Unspecified		Activity	=	66	%	23149227

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 NPC265580 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	134
0.1-0.2	1204
0.2-0.3	4810
0.3-0.4	11399
0.4-0.5	4692
0.5-0.6	5467
0.6-0.7	3037
0.7-0.8	142
0.8-0.85	3
0.85-0.9	1
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.8621	High Similarity	NPC475773
0.809	Intermediate Similarity	NPC244174
0.8065	Intermediate Similarity	NPC41649
0.8023	Intermediate Similarity	NPC170038
0.7957	Intermediate Similarity	NPC470576
0.7907	Intermediate Similarity	NPC118987
0.77	Intermediate Similarity	NPC244247
0.7684	Intermediate Similarity	NPC472224
0.7684	Intermediate Similarity	NPC472223
0.7667	Intermediate Similarity	NPC100391
0.766	Intermediate Similarity	NPC474631
0.7579	Intermediate Similarity	NPC277721
0.7579	Intermediate Similarity	NPC267266
0.7528	Intermediate Similarity	NPC232625
0.75	Intermediate Similarity	NPC98069
0.75	Intermediate Similarity	NPC98633
0.75	Intermediate Similarity	NPC49730
0.7474	Intermediate Similarity	NPC65513
0.7473	Intermediate Similarity	NPC82492
0.7473	Intermediate Similarity	NPC51135
0.7473	Intermediate Similarity	NPC101138
0.7473	Intermediate Similarity	NPC25802
0.7451	Intermediate Similarity	NPC164600
0.7451	Intermediate Similarity	NPC103172
0.7449	Intermediate Similarity	NPC58267
0.7449	Intermediate Similarity	NPC261372
0.7449	Intermediate Similarity	NPC263674
0.7423	Intermediate Similarity	NPC167893
0.7419	Intermediate Similarity	NPC288952
0.7419	Intermediate Similarity	NPC167877
0.7396	Intermediate Similarity	NPC470656
0.7396	Intermediate Similarity	NPC472225
0.7396	Intermediate Similarity	NPC472226
0.7391	Intermediate Similarity	NPC470223
0.7356	Intermediate Similarity	NPC476601
0.7353	Intermediate Similarity	NPC472228
0.7353	Intermediate Similarity	NPC472227
0.7347	Intermediate Similarity	NPC311166
0.734	Intermediate Similarity	NPC229407
0.734	Intermediate Similarity	NPC48824
0.734	Intermediate Similarity	NPC254572
0.734	Intermediate Similarity	NPC250687
0.7327	Intermediate Similarity	NPC94919
0.7308	Intermediate Similarity	NPC224414
0.729	Intermediate Similarity	NPC285086
0.7283	Intermediate Similarity	NPC471367
0.7282	Intermediate Similarity	NPC127790
0.7282	Intermediate Similarity	NPC469401
0.7273	Intermediate Similarity	NPC238227
0.7273	Intermediate Similarity	NPC257726
0.7273	Intermediate Similarity	NPC204054
0.7264	Intermediate Similarity	NPC471251
0.7263	Intermediate Similarity	NPC288699
0.7263	Intermediate Similarity	NPC269267
0.7263	Intermediate Similarity	NPC474679
0.7238	Intermediate Similarity	NPC471250
0.7229	Intermediate Similarity	NPC469868
0.7222	Intermediate Similarity	NPC473685
0.7216	Intermediate Similarity	NPC471571
0.7212	Intermediate Similarity	NPC96333
0.7212	Intermediate Similarity	NPC88833
0.7209	Intermediate Similarity	NPC12680
0.7209	Intermediate Similarity	NPC279241
0.72	Intermediate Similarity	NPC153792
0.72	Intermediate Similarity	NPC271387
0.72	Intermediate Similarity	NPC473155
0.7188	Intermediate Similarity	NPC471370
0.7188	Intermediate Similarity	NPC471371
0.7184	Intermediate Similarity	NPC228669
0.7184	Intermediate Similarity	NPC101842
0.7184	Intermediate Similarity	NPC121566
0.7184	Intermediate Similarity	NPC223741
0.7184	Intermediate Similarity	NPC100955
0.7184	Intermediate Similarity	NPC164835
0.7174	Intermediate Similarity	NPC54468
0.7172	Intermediate Similarity	NPC474297
0.717	Intermediate Similarity	NPC106760
0.717	Intermediate Similarity	NPC130302
0.717	Intermediate Similarity	NPC101450
0.7158	Intermediate Similarity	NPC28227
0.7158	Intermediate Similarity	NPC33398
0.7143	Intermediate Similarity	NPC475951
0.7143	Intermediate Similarity	NPC472230
0.7143	Intermediate Similarity	NPC469845
0.7143	Intermediate Similarity	NPC472229
0.7143	Intermediate Similarity	NPC295389
0.7143	Intermediate Similarity	NPC88507
0.7129	Intermediate Similarity	NPC469402
0.7128	Intermediate Similarity	NPC471042
0.7128	Intermediate Similarity	NPC471369
0.7128	Intermediate Similarity	NPC471368
0.7115	Intermediate Similarity	NPC63023
0.7115	Intermediate Similarity	NPC162033
0.7115	Intermediate Similarity	NPC95243
0.7115	Intermediate Similarity	NPC285927
0.7113	Intermediate Similarity	NPC471747
0.7113	Intermediate Similarity	NPC165904
0.7113	Intermediate Similarity	NPC179517
0.7111	Intermediate Similarity	NPC471475
0.7103	Intermediate Similarity	NPC272242
0.7103	Intermediate Similarity	NPC470577
0.7103	Intermediate Similarity	NPC329953
0.71	Intermediate Similarity	NPC187159
0.71	Intermediate Similarity	NPC253586
0.71	Intermediate Similarity	NPC304445
0.71	Intermediate Similarity	NPC236580
0.71	Intermediate Similarity	NPC469810
0.7087	Intermediate Similarity	NPC474775
0.7087	Intermediate Similarity	NPC221421
0.7087	Intermediate Similarity	NPC140723
0.7083	Intermediate Similarity	NPC283409
0.7079	Intermediate Similarity	NPC475932
0.7075	Intermediate Similarity	NPC118225
0.7075	Intermediate Similarity	NPC112457
0.7071	Intermediate Similarity	NPC280877
0.7071	Intermediate Similarity	NPC473369
0.7065	Intermediate Similarity	NPC240302
0.7065	Intermediate Similarity	NPC246076
0.7059	Intermediate Similarity	NPC5714
0.7059	Intermediate Similarity	NPC67296
0.7059	Intermediate Similarity	NPC474053
0.7059	Intermediate Similarity	NPC304624
0.7053	Intermediate Similarity	NPC175293
0.7053	Intermediate Similarity	NPC24728
0.7048	Intermediate Similarity	NPC59530
0.7048	Intermediate Similarity	NPC287269
0.7048	Intermediate Similarity	NPC61071
0.7048	Intermediate Similarity	NPC293512
0.7041	Intermediate Similarity	NPC475061
0.7041	Intermediate Similarity	NPC475700
0.7033	Intermediate Similarity	NPC1882
0.7021	Intermediate Similarity	NPC98270
0.7021	Intermediate Similarity	NPC300985
0.701	Intermediate Similarity	NPC475776
0.7009	Intermediate Similarity	NPC27551
0.7009	Intermediate Similarity	NPC114961
0.7009	Intermediate Similarity	NPC124053
0.7009	Intermediate Similarity	NPC255655
0.7	Intermediate Similarity	NPC63020
0.7	Intermediate Similarity	NPC112654
0.7	Intermediate Similarity	NPC35574
0.7	Intermediate Similarity	NPC42042
0.7	Intermediate Similarity	NPC200054
0.7	Intermediate Similarity	NPC164750
0.7	Intermediate Similarity	NPC29410
0.7	Intermediate Similarity	NPC307164
0.699	Remote Similarity	NPC134077
0.6989	Remote Similarity	NPC111409
0.6989	Remote Similarity	NPC471037
0.6989	Remote Similarity	NPC170862
0.6981	Remote Similarity	NPC469844
0.6981	Remote Similarity	NPC230888
0.6981	Remote Similarity	NPC88744
0.6981	Remote Similarity	NPC195708
0.6979	Remote Similarity	NPC263079
0.6979	Remote Similarity	NPC221993
0.6979	Remote Similarity	NPC255176
0.6979	Remote Similarity	NPC471149
0.6972	Remote Similarity	NPC102619
0.697	Remote Similarity	NPC471446
0.697	Remote Similarity	NPC474841
0.697	Remote Similarity	NPC473434
0.6966	Remote Similarity	NPC92489
0.6966	Remote Similarity	NPC246445
0.6966	Remote Similarity	NPC41017
0.6964	Remote Similarity	NPC475834
0.6964	Remote Similarity	NPC474179
0.6961	Remote Similarity	NPC267921
0.6961	Remote Similarity	NPC108371
0.6961	Remote Similarity	NPC473146
0.6957	Remote Similarity	NPC47635
0.6957	Remote Similarity	NPC223330
0.6957	Remote Similarity	NPC209318
0.6952	Remote Similarity	NPC210178
0.6952	Remote Similarity	NPC475217
0.6947	Remote Similarity	NPC264127
0.6947	Remote Similarity	NPC238593
0.6944	Remote Similarity	NPC470311
0.6939	Remote Similarity	NPC286341
0.6939	Remote Similarity	NPC191339
0.6939	Remote Similarity	NPC160506
0.6939	Remote Similarity	NPC150383
0.6939	Remote Similarity	NPC475878
0.6939	Remote Similarity	NPC165180
0.6939	Remote Similarity	NPC470230
0.6931	Remote Similarity	NPC472188
0.6923	Remote Similarity	NPC132395
0.6923	Remote Similarity	NPC170561
0.6923	Remote Similarity	NPC473148
0.6923	Remote Similarity	NPC471364
0.6923	Remote Similarity	NPC471365
0.6916	Remote Similarity	NPC246205
0.6916	Remote Similarity	NPC473844
0.6916	Remote Similarity	NPC469744
0.6916	Remote Similarity	NPC51947
0.6916	Remote Similarity	NPC240125
0.6916	Remote Similarity	NPC265655
0.6916	Remote Similarity	NPC91583
0.6915	Remote Similarity	NPC97505
0.6915	Remote Similarity	NPC469407

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC265580 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	152
0.1-0.2	2073
0.2-0.3	4289
0.3-0.4	1797
0.4-0.5	430
0.5-0.6	330
0.6-0.7	89
0.7-0.8	1
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.7041	Intermediate Similarity	NPD6399	Phase 3
0.6952	Remote Similarity	NPD6008	Approved
0.6939	Remote Similarity	NPD8035	Phase 2
0.6939	Remote Similarity	NPD8034	Phase 2
0.6804	Remote Similarity	NPD6672	Approved
0.6804	Remote Similarity	NPD5737	Approved
0.6733	Remote Similarity	NPD6356	Clinical (unspecified phase)
0.6633	Remote Similarity	NPD6903	Approved
0.6598	Remote Similarity	NPD7334	Approved
0.6598	Remote Similarity	NPD6409	Approved
0.6598	Remote Similarity	NPD5330	Approved
0.6598	Remote Similarity	NPD7146	Approved
0.6598	Remote Similarity	NPD6684	Approved
0.6598	Remote Similarity	NPD7521	Approved
0.6581	Remote Similarity	NPD7122	Discontinued
0.6574	Remote Similarity	NPD6412	Phase 2
0.6526	Remote Similarity	NPD4752	Clinical (unspecified phase)
0.6518	Remote Similarity	NPD8133	Approved
0.6514	Remote Similarity	NPD6686	Approved
0.65	Remote Similarity	NPD5207	Approved
0.6495	Remote Similarity	NPD7520	Clinical (unspecified phase)
0.6465	Remote Similarity	NPD7513	Clinical (unspecified phase)
0.6429	Remote Similarity	NPD6098	Approved
0.6417	Remote Similarity	NPD8293	Discontinued
0.64	Remote Similarity	NPD6080	Approved
0.64	Remote Similarity	NPD6673	Approved
0.64	Remote Similarity	NPD6904	Approved
0.6364	Remote Similarity	NPD7736	Approved
0.6356	Remote Similarity	NPD6370	Approved
0.6333	Remote Similarity	NPD7507	Approved
0.6311	Remote Similarity	NPD6001	Approved
0.6286	Remote Similarity	NPD6084	Phase 2
0.6286	Remote Similarity	NPD6083	Phase 2
0.6283	Remote Similarity	NPD6882	Approved
0.6281	Remote Similarity	NPD7078	Approved
0.6275	Remote Similarity	NPD6050	Approved
0.625	Remote Similarity	NPD1780	Approved
0.625	Remote Similarity	NPD5695	Phase 3
0.625	Remote Similarity	NPD7492	Approved
0.625	Remote Similarity	NPD1779	Approved
0.6238	Remote Similarity	NPD1695	Approved
0.6226	Remote Similarity	NPD5696	Approved
0.6224	Remote Similarity	NPD4786	Approved
0.6216	Remote Similarity	NPD7320	Approved
0.6198	Remote Similarity	NPD6616	Approved
0.6186	Remote Similarity	NPD6054	Approved
0.6186	Remote Similarity	NPD6059	Approved
0.6182	Remote Similarity	NPD6675	Approved
0.6182	Remote Similarity	NPD7128	Approved
0.6182	Remote Similarity	NPD5739	Approved
0.6182	Remote Similarity	NPD6402	Approved
0.6179	Remote Similarity	NPD7319	Approved
0.6176	Remote Similarity	NPD5692	Phase 3
0.6161	Remote Similarity	NPD6373	Approved
0.6161	Remote Similarity	NPD8132	Clinical (unspecified phase)
0.6161	Remote Similarity	NPD6372	Approved
0.6154	Remote Similarity	NPD5777	Approved
0.6154	Remote Similarity	NPD7901	Clinical (unspecified phase)
0.6154	Remote Similarity	NPD7900	Approved
0.6147	Remote Similarity	NPD6052	Approved
0.6139	Remote Similarity	NPD5208	Approved
0.6129	Remote Similarity	NPD3702	Approved
0.6122	Remote Similarity	NPD5362	Discontinued
0.6122	Remote Similarity	NPD4788	Approved
0.6117	Remote Similarity	NPD5694	Approved
0.6117	Remote Similarity	NPD5281	Approved
0.6117	Remote Similarity	NPD5284	Approved
0.6117	Remote Similarity	NPD5693	Phase 1
0.6091	Remote Similarity	NPD4056	Clinical (unspecified phase)
0.6091	Remote Similarity	NPD8170	Clinical (unspecified phase)
0.6091	Remote Similarity	NPD4057	Clinical (unspecified phase)
0.6075	Remote Similarity	NPD7638	Approved
0.6071	Remote Similarity	NPD6899	Approved
0.6071	Remote Similarity	NPD6881	Approved
0.6068	Remote Similarity	NPD6009	Approved
0.6068	Remote Similarity	NPD8295	Clinical (unspecified phase)
0.6061	Remote Similarity	NPD3668	Phase 3
0.6053	Remote Similarity	NPD6649	Approved
0.6053	Remote Similarity	NPD6650	Approved
0.6033	Remote Similarity	NPD6067	Discontinued
0.602	Remote Similarity	NPD6435	Approved
0.602	Remote Similarity	NPD3667	Approved
0.6019	Remote Similarity	NPD7640	Approved
0.6019	Remote Similarity	NPD7639	Approved
0.6	Remote Similarity	NPD6016	Approved
0.6	Remote Similarity	NPD6015	Approved
0.6	Remote Similarity	NPD6053	Discontinued
0.6	Remote Similarity	NPD5282	Discontinued
0.6	Remote Similarity	NPD229	Approved
0.6	Remote Similarity	NPD6116	Phase 1
0.5982	Remote Similarity	NPD5701	Approved
0.5982	Remote Similarity	NPD5697	Approved
0.5981	Remote Similarity	NPD7902	Approved
0.5965	Remote Similarity	NPD7102	Approved
0.5965	Remote Similarity	NPD7290	Approved
0.5965	Remote Similarity	NPD6883	Approved
0.5963	Remote Similarity	NPD1700	Approved
0.5962	Remote Similarity	NPD6411	Approved
0.5962	Remote Similarity	NPD7637	Suspended
0.5957	Remote Similarity	NPD8039	Approved
0.595	Remote Similarity	NPD5988	Approved
0.5943	Remote Similarity	NPD1698	Clinical (unspecified phase)
0.5938	Remote Similarity	NPD6115	Approved
0.5938	Remote Similarity	NPD6697	Approved
0.5938	Remote Similarity	NPD5784	Clinical (unspecified phase)
0.5938	Remote Similarity	NPD6118	Approved
0.5938	Remote Similarity	NPD6114	Approved
0.5929	Remote Similarity	NPD6011	Approved
0.5922	Remote Similarity	NPD6051	Approved
0.5922	Remote Similarity	NPD5328	Approved
0.5918	Remote Similarity	NPD5369	Approved
0.5913	Remote Similarity	NPD6401	Clinical (unspecified phase)
0.5913	Remote Similarity	NPD6869	Approved
0.5913	Remote Similarity	NPD6617	Approved
0.5913	Remote Similarity	NPD8130	Phase 1
0.5913	Remote Similarity	NPD6847	Approved
0.5902	Remote Similarity	NPD8328	Phase 3
0.5895	Remote Similarity	NPD6117	Approved
0.5882	Remote Similarity	NPD7327	Approved
0.5882	Remote Similarity	NPD4250	Approved
0.5882	Remote Similarity	NPD4251	Approved
0.5882	Remote Similarity	NPD7328	Approved
0.5877	Remote Similarity	NPD6013	Approved
0.5877	Remote Similarity	NPD6012	Approved
0.5877	Remote Similarity	NPD6014	Approved
0.5868	Remote Similarity	NPD8033	Approved
0.5862	Remote Similarity	NPD8297	Approved
0.5851	Remote Similarity	NPD6113	Clinical (unspecified phase)
0.5849	Remote Similarity	NPD7748	Approved
0.5842	Remote Similarity	NPD6082	Clinical (unspecified phase)
0.5842	Remote Similarity	NPD1694	Approved
0.584	Remote Similarity	NPD8337	Approved
0.584	Remote Similarity	NPD8336	Approved
0.584	Remote Similarity	NPD6033	Approved
0.5833	Remote Similarity	NPD7516	Approved
0.5816	Remote Similarity	NPD5368	Approved
0.5812	Remote Similarity	NPD4632	Approved
0.581	Remote Similarity	NPD6079	Approved
0.5806	Remote Similarity	NPD6081	Approved
0.5794	Remote Similarity	NPD5654	Approved
0.5785	Remote Similarity	NPD8377	Approved
0.5785	Remote Similarity	NPD8294	Approved
0.5784	Remote Similarity	NPD5786	Approved
0.5784	Remote Similarity	NPD3618	Phase 1
0.5784	Remote Similarity	NPD4249	Approved
0.5784	Remote Similarity	NPD5279	Phase 3
0.5773	Remote Similarity	NPD4238	Approved
0.5773	Remote Similarity	NPD4802	Phase 2
0.5769	Remote Similarity	NPD5764	Clinical (unspecified phase)
0.5769	Remote Similarity	NPD6101	Approved
0.5769	Remote Similarity	NPD4753	Phase 2
0.5758	Remote Similarity	NPD4790	Discontinued
0.5755	Remote Similarity	NPD5778	Approved
0.5755	Remote Similarity	NPD5779	Approved
0.5747	Remote Similarity	NPD1145	Discontinued
0.5743	Remote Similarity	NPD3665	Phase 1
0.5743	Remote Similarity	NPD3666	Approved
0.5743	Remote Similarity	NPD7338	Clinical (unspecified phase)
0.5743	Remote Similarity	NPD3133	Approved
0.5741	Remote Similarity	NPD4697	Phase 3
0.5738	Remote Similarity	NPD8380	Approved
0.5738	Remote Similarity	NPD8296	Approved
0.5738	Remote Similarity	NPD8379	Approved
0.5738	Remote Similarity	NPD8335	Approved
0.5738	Remote Similarity	NPD8378	Approved
0.5738	Remote Similarity	NPD6291	Clinical (unspecified phase)
0.5728	Remote Similarity	NPD3573	Approved
0.5714	Remote Similarity	NPD5785	Approved
0.5702	Remote Similarity	NPD7517	Approved
0.5702	Remote Similarity	NPD7518	Approved
0.5702	Remote Similarity	NPD6614	Approved
0.5702	Remote Similarity	NPD7899	Clinical (unspecified phase)
0.5702	Remote Similarity	NPD7519	Approved
0.57	Remote Similarity	NPD4223	Phase 3
0.57	Remote Similarity	NPD4269	Approved
0.57	Remote Similarity	NPD4270	Approved
0.57	Remote Similarity	NPD4221	Approved
0.5688	Remote Similarity	NPD4755	Approved
0.5688	Remote Similarity	NPD5959	Approved
0.5686	Remote Similarity	NPD1733	Clinical (unspecified phase)
0.5686	Remote Similarity	NPD5329	Approved
0.5667	Remote Similarity	NPD9496	Clinical (unspecified phase)
0.5667	Remote Similarity	NPD3171	Clinical (unspecified phase)
0.5667	Remote Similarity	NPD7115	Discovery
0.566	Remote Similarity	NPD7515	Phase 2
0.5657	Remote Similarity	NPD5790	Clinical (unspecified phase)
0.5657	Remote Similarity	NPD6928	Phase 2
0.5656	Remote Similarity	NPD6319	Approved
0.5652	Remote Similarity	NPD5345	Clinical (unspecified phase)
0.5648	Remote Similarity	NPD5210	Approved
0.5648	Remote Similarity	NPD4629	Approved
0.5645	Remote Similarity	NPD7604	Phase 2
0.5644	Remote Similarity	NPD3670	Clinical (unspecified phase)
0.5644	Remote Similarity	NPD6695	Phase 3
0.5644	Remote Similarity	NPD5332	Approved
0.5644	Remote Similarity	NPD7154	Phase 3
0.5644	Remote Similarity	NPD5331	Approved
0.5644	Remote Similarity	NPD3669	Approved
0.5641	Remote Similarity	NPD8413	Clinical (unspecified phase)
0.5636	Remote Similarity	NPD4225	Approved

Structure

NPC265580 OpenBabel07101718222D 27 30 0 0 1 0 0 0 0 0999 V2000 3.0485 -0.2738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4945 2.7026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0055 -4.6430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0055 -4.6430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0462 -1.3635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3715 -2.2770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1006 -2.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6884 -3.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3715 -3.2770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5055 -1.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4502 -2.4563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3794 -1.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9945 1.8366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6581 -1.4781 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6884 -1.9680 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6395 -3.2770 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5443 -2.5608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4013 -0.8090 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2079 -0.9781 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9945 0.1045 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5055 -3.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6395 -2.2770 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0055 1.8366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0443 -3.4268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4945 0.9706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9511 -1.6473 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 12 2 0 0 0 0 2 13 1 0 0 0 0 3 21 1 0 0 0 0 4 21 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 15 1 0 0 0 0 8 16 1 0 0 0 0 9 21 1 0 0 0 0 10 22 1 0 0 0 0 11 17 1 0 0 0 0 12 15 1 0 0 0 0 13 23 2 0 0 0 0 13 25 1 0 0 0 0 14 11 1 1 0 0 0 14 18 1 0 0 0 0 14 19 1 0 0 0 0 15 22 1 6 0 0 0 16 21 1 0 0 0 0 16 22 1 6 0 0 0 17 24 2 0 0 0 0 17 26 1 0 0 0 0 18 12 1 1 0 0 0 18 20 1 0 0 0 0 19 26 1 1 0 0 0 19 27 1 0 0 0 0 20 25 1 6 0 0 0 20 27 1 0 0 0 0 22 5 1 6 0 0 0 M END $$$$

External Identifiers

PubChem CID	11349389
ChEMBL	CHEMBL514367
ZINC

Physicochemical Properties

Molecular Weight:	376.22
ALogP:	1.1451
MLogP:	3.33
XLogP:	6.288
# Rotatable Bonds:	8
Polar Surface Area:	61.83
# H-Bond Aceptor:	5
# H-Bond Donor:	0
# Rings:	4
# Heavy Atoms:	27

Download Data

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