NPASS drugs

Drug Information

Drug ID:	NPD3306
Drug Name:	Camazepam
Molecular Formula:	C19H18ClN3O3
Canonical SMILES:	Clc1ccc2c(c1)C(=NC(C(=O)N2C)OC(=O)N(C)C)c1ccccc1
Standard InCHI:	InChI=1S/C19H18ClN3O3/c1-22(2)19(25)26-17-18(24)23(3)15-10-9-13(20)11-14(15)16(21-17)12-7-5-4-6-8-12/h4-11,17H,1-3H3
Standard InCHIKey:	PXBVEXGRHZFEOF-UHFFFAOYSA-N
Max Developmental Stage:	Approved
Max Developmental Stage Source:	DrugBank

Structural Similarity Between NPASS Natural Products and NPD3306

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
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.

Range	Similarity Score Range
0-0.1	156
0.1-0.2	2314
0.2-0.3	11585
0.3-0.4	12095
0.4-0.5	3111
0.5-0.6	1556
0.6-0.7	69
0.7-0.8	3
0.8-0.85	0
0.85-0.9	0
0.9-0.95	1
0.95-1	0

Similar Natural Products

High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7

Similarity Level	Similarity Score	Natural Product ID
High Similarity	0.9007	NPC325599
Intermediate Similarity	0.7569	NPC317564
Intermediate Similarity	0.7095	NPC316582
Intermediate Similarity	0.7093	NPC116961
Remote Similarity	0.6959	NPC228515
Remote Similarity	0.6943	NPC313352
Remote Similarity	0.6883	NPC476950
Remote Similarity	0.6779	NPC192209
Remote Similarity	0.6622	NPC187036
Remote Similarity	0.6622	NPC296163
Remote Similarity	0.645	NPC254798
Remote Similarity	0.6447	NPC313449
Remote Similarity	0.6437	NPC104345
Remote Similarity	0.6425	NPC65080
Remote Similarity	0.64	NPC477591
Remote Similarity	0.6391	NPC470440
Remote Similarity	0.6364	NPC311858
Remote Similarity	0.6358	NPC471132
Remote Similarity	0.6352	NPC478079
Remote Similarity	0.6343	NPC477887
Remote Similarity	0.6339	NPC14325
Remote Similarity	0.6339	NPC28848
Remote Similarity	0.6313	NPC470509
Remote Similarity	0.6304	NPC12649
Remote Similarity	0.6296	NPC53044
Remote Similarity	0.6287	NPC32002
Remote Similarity	0.6287	NPC315348
Remote Similarity	0.6273	NPC9856
Remote Similarity	0.6264	NPC281094
Remote Similarity	0.6257	NPC470003
Remote Similarity	0.625	NPC238499
Remote Similarity	0.6209	NPC288232
Remote Similarity	0.6194	NPC220698
Remote Similarity	0.619	NPC470301
Remote Similarity	0.618	NPC68650
Remote Similarity	0.6175	NPC285622
Remote Similarity	0.6174	NPC302790
Remote Similarity	0.6158	NPC299594
Remote Similarity	0.6149	NPC469949
Remote Similarity	0.6146	NPC129909
Remote Similarity	0.614	NPC323198
Remote Similarity	0.6127	NPC321617
Remote Similarity	0.6121	NPC184437
Remote Similarity	0.612	NPC355
Remote Similarity	0.6117	NPC143533
Remote Similarity	0.6114	NPC117032
Remote Similarity	0.6108	NPC287358
Remote Similarity	0.6096	NPC91179
Remote Similarity	0.6096	NPC291610
Remote Similarity	0.6095	NPC22082
Remote Similarity	0.6095	NPC186284
Remote Similarity	0.6095	NPC104483
Remote Similarity	0.6095	NPC471574
Remote Similarity	0.6087	NPC161861
Remote Similarity	0.6084	NPC300299
Remote Similarity	0.6057	NPC66936
Remote Similarity	0.6056	NPC133470
Remote Similarity	0.6056	NPC191863
Remote Similarity	0.6056	NPC289776
Remote Similarity	0.6056	NPC194881
Remote Similarity	0.6054	NPC469938
Remote Similarity	0.6043	NPC11126
Remote Similarity	0.6023	NPC277157
Remote Similarity	0.6022	NPC271734
Remote Similarity	0.6022	NPC478182
Remote Similarity	0.6022	NPC189116
Remote Similarity	0.6021	NPC94752
Remote Similarity	0.6012	NPC122553
Remote Similarity	0.6011	NPC469896
Remote Similarity	0.6011	NPC11149
Remote Similarity	0.6011	NPC314919
Remote Similarity	0.6011	NPC476464
Remote Similarity	0.6	NPC228835
Remote Similarity	0.5989	NPC471130
Remote Similarity	0.5988	NPC136002
Remote Similarity	0.5988	NPC250476
Remote Similarity	0.5987	NPC264580
Remote Similarity	0.5977	NPC478186
Remote Similarity	0.5976	NPC469560
Remote Similarity	0.5975	NPC314192
Remote Similarity	0.5969	NPC57994
Remote Similarity	0.5969	NPC289299
Remote Similarity	0.5967	NPC88970
Remote Similarity	0.5967	NPC476231
Remote Similarity	0.5962	NPC470544
Remote Similarity	0.5949	NPC226143
Remote Similarity	0.5947	NPC472104
Remote Similarity	0.5941	NPC469426
Remote Similarity	0.5941	NPC315051
Remote Similarity	0.5941	NPC469427
Remote Similarity	0.593	NPC209509
Remote Similarity	0.593	NPC192674
Remote Similarity	0.5928	NPC162417
Remote Similarity	0.5928	NPC316104
Remote Similarity	0.5924	NPC470545
Remote Similarity	0.5912	NPC255229
Remote Similarity	0.5912	NPC81229
Remote Similarity	0.5912	NPC143457
Remote Similarity	0.5909	NPC473329
Remote Similarity	0.5904	NPC234987
Remote Similarity	0.5902	NPC478158
Remote Similarity	0.5897	NPC243716
Remote Similarity	0.5897	NPC117244
Remote Similarity	0.5897	NPC473763
Remote Similarity	0.5896	NPC314186
Remote Similarity	0.589	NPC136453
Remote Similarity	0.5888	NPC294693
Remote Similarity	0.5886	NPC81561
Remote Similarity	0.5886	NPC470546
Remote Similarity	0.5886	NPC212799
Remote Similarity	0.5885	NPC133003
Remote Similarity	0.5882	NPC83214
Remote Similarity	0.5882	NPC314102
Remote Similarity	0.5882	NPC251722
Remote Similarity	0.5879	NPC187231
Remote Similarity	0.5879	NPC168911
Remote Similarity	0.5876	NPC61435
Remote Similarity	0.5876	NPC243756
Remote Similarity	0.5876	NPC40070
Remote Similarity	0.5875	NPC475915
Remote Similarity	0.5875	NPC257490
Remote Similarity	0.5867	NPC316018
Remote Similarity	0.5867	NPC314058
Remote Similarity	0.5867	NPC315617
Remote Similarity	0.5867	NPC316359
Remote Similarity	0.5858	NPC471265
Remote Similarity	0.5858	NPC267508
Remote Similarity	0.5858	NPC471123
Remote Similarity	0.5858	NPC471264
Remote Similarity	0.5858	NPC68865
Remote Similarity	0.5858	NPC198988
Remote Similarity	0.5856	NPC293487
Remote Similarity	0.5856	NPC276085
Remote Similarity	0.5854	NPC89923
Remote Similarity	0.5854	NPC239990
Remote Similarity	0.5854	NPC105114
Remote Similarity	0.5854	NPC152850
Remote Similarity	0.5854	NPC71933
Remote Similarity	0.5852	NPC109787
Remote Similarity	0.5852	NPC477974
Remote Similarity	0.5849	NPC291962
Remote Similarity	0.5849	NPC177684
Remote Similarity	0.5848	NPC130251
Remote Similarity	0.5848	NPC207554
Remote Similarity	0.5848	NPC263493
Remote Similarity	0.5848	NPC269398
Remote Similarity	0.5843	NPC122106
Remote Similarity	0.5833	NPC472119
Remote Similarity	0.5833	NPC84317
Remote Similarity	0.5829	NPC105717
Remote Similarity	0.5826	NPC315062
Remote Similarity	0.5825	NPC232872
Remote Similarity	0.5825	NPC17059
Remote Similarity	0.5824	NPC92784
Remote Similarity	0.5824	NPC178662
Remote Similarity	0.5824	NPC98424
Remote Similarity	0.5824	NPC470884
Remote Similarity	0.5824	NPC476133
Remote Similarity	0.5823	NPC148140
Remote Similarity	0.5818	NPC150863
Remote Similarity	0.5814	NPC139326
Remote Similarity	0.5814	NPC301760
Remote Similarity	0.5814	NPC2823
Remote Similarity	0.5814	NPC161069
Remote Similarity	0.5813	NPC112373
Remote Similarity	0.5813	NPC258531
Remote Similarity	0.5813	NPC161956
Remote Similarity	0.5808	NPC325479
Remote Similarity	0.5805	NPC20144
Remote Similarity	0.5803	NPC307396
Remote Similarity	0.5802	NPC328683
Remote Similarity	0.5802	NPC283130
Remote Similarity	0.5801	NPC222029
Remote Similarity	0.5801	NPC113946
Remote Similarity	0.58	NPC212213
Remote Similarity	0.5798	NPC13367
Remote Similarity	0.5795	NPC213629
Remote Similarity	0.5789	NPC471312
Remote Similarity	0.5789	NPC46098
Remote Similarity	0.5789	NPC268841
Remote Similarity	0.5789	NPC20322
Remote Similarity	0.5789	NPC307357
Remote Similarity	0.5784	NPC472114
Remote Similarity	0.5784	NPC472115
Remote Similarity	0.5784	NPC478183
Remote Similarity	0.5784	NPC114637
Remote Similarity	0.5781	NPC470205
Remote Similarity	0.5781	NPC471609
Remote Similarity	0.5781	NPC471785
Remote Similarity	0.5779	NPC472116
Remote Similarity	0.5778	NPC470507
Remote Similarity	0.5776	NPC71684
Remote Similarity	0.5773	NPC478077
Remote Similarity	0.5769	NPC35850
Remote Similarity	0.5769	NPC314141
Remote Similarity	0.5769	NPC276949
Remote Similarity	0.5767	NPC134586
Remote Similarity	0.5765	NPC127741
Remote Similarity	0.5762	NPC473418
Remote Similarity	0.5762	NPC478157

Drug Structure

NPD3306 OpenBabel08211703112D 26 28 0 0 1 0 0 0 0 0999 V2000 3.1439 0.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4136 1.6826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9972 0.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7452 -2.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8792 -2.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7452 -1.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0132 -2.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8792 -0.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1452 -2.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3677 -1.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5434 -2.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0132 -1.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8104 -2.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3209 -1.2256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3653 -0.9309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1472 -0.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4888 1.0151 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7585 2.1932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0329 -3.8557 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.2219 0.3349 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4387 1.4601 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0633 1.6923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0533 3.1487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7836 1.9706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 22 1 0 0 0 0 3 23 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 2 0 0 0 0 7 12 2 0 0 0 0 8 12 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 15 1 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 12 16 1 0 0 0 0 13 20 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 23 1 0 0 0 0 16 21 2 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 17 26 1 0 0 0 0 18 23 1 0 0 0 0 18 24 2 0 0 0 0 19 22 1 0 0 0 0 19 25 2 0 0 0 0 19 26 1 0 0 0 0 M END $$$$

External Identifiers

TTD
DrugBank	DB01489
ChEMBL	CHEMBL1095282
IUPHAR/BPS
PharmaGKB
KEGG Drug	D07315
PubChem CID
ChEBI	135570
CAS Number	36104-80-0

Drug Properties

Molecular Weight	371.10
ALogP	0.3644
MLogP	2.78
XLogP	4.013
HDA	6
HBD	0
Rotatable Bonds	8
TPSA	62.21
RO5 Violation	0