NPASS drugs

Drug Information

Drug ID:	NPD1865
Drug Name:	Lormetazepam
Molecular Formula:	C16H12Cl2N2O2
Canonical SMILES:	Clc1ccc2c(c1)C(=NC(C(=O)N2C)O)c1ccccc1Cl
Standard InCHI:	InChI=1S/C16H12Cl2N2O2/c1-20-13-7-6-9(17)8-11(13)14(19-15(21)16(20)22)10-4-2-3-5-12(10)18/h2-8,15,21H,1H3
Standard InCHIKey:	FJIKWRGCXUCUIG-UHFFFAOYSA-N
Max Developmental Stage:	Approved
Max Developmental Stage Source:	ChEMBL

Structural Similarity Between NPASS Natural Products and NPD1865

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	142
0.1-0.2	2382
0.2-0.3	11983
0.3-0.4	11744
0.4-0.5	3060
0.5-0.6	1500
0.6-0.7	76
0.7-0.8	2
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	0.9071	NPC325599
Intermediate Similarity	0.7872	NPC317564
Intermediate Similarity	0.7152	NPC476950
Remote Similarity	0.6879	NPC313352
Remote Similarity	0.68	NPC316582
Remote Similarity	0.6711	NPC192209
Remote Similarity	0.6667	NPC187036
Remote Similarity	0.6667	NPC228515
Remote Similarity	0.6667	NPC296163
Remote Similarity	0.6648	NPC116961
Remote Similarity	0.6587	NPC254798
Remote Similarity	0.657	NPC104345
Remote Similarity	0.6524	NPC470301
Remote Similarity	0.6491	NPC471132
Remote Similarity	0.6437	NPC477591
Remote Similarity	0.6429	NPC470440
Remote Similarity	0.6382	NPC313449
Remote Similarity	0.6379	NPC477887
Remote Similarity	0.6358	NPC184437
Remote Similarity	0.634	NPC220698
Remote Similarity	0.6325	NPC22082
Remote Similarity	0.6325	NPC186284
Remote Similarity	0.6307	NPC68650
Remote Similarity	0.6301	NPC281094
Remote Similarity	0.629	NPC470003
Remote Similarity	0.6289	NPC478079
Remote Similarity	0.6287	NPC238499
Remote Similarity	0.6286	NPC299594
Remote Similarity	0.6278	NPC65080
Remote Similarity	0.625	NPC288232
Remote Similarity	0.6243	NPC355
Remote Similarity	0.6242	NPC122553
Remote Similarity	0.6235	NPC53044
Remote Similarity	0.6228	NPC32002
Remote Similarity	0.6228	NPC315348
Remote Similarity	0.6216	NPC302790
Remote Similarity	0.6216	NPC91179
Remote Similarity	0.6211	NPC9856
Remote Similarity	0.6201	NPC471130
Remote Similarity	0.6188	NPC469949
Remote Similarity	0.618	NPC191863
Remote Similarity	0.618	NPC289776
Remote Similarity	0.618	NPC133470
Remote Similarity	0.618	NPC88970
Remote Similarity	0.6163	NPC321617
Remote Similarity	0.6162	NPC11126
Remote Similarity	0.6145	NPC271734
Remote Similarity	0.6139	NPC328683
Remote Similarity	0.6139	NPC283130
Remote Similarity	0.6138	NPC94752
Remote Similarity	0.6131	NPC471574
Remote Similarity	0.6121	NPC300299
Remote Similarity	0.6117	NPC228835
Remote Similarity	0.6105	NPC212799
Remote Similarity	0.6104	NPC470544
Remote Similarity	0.6094	NPC243716
Remote Similarity	0.6089	NPC476231
Remote Similarity	0.6082	NPC294693
Remote Similarity	0.6075	NPC12649
Remote Similarity	0.6071	NPC315051
Remote Similarity	0.6065	NPC470545
Remote Similarity	0.6059	NPC277157
Remote Similarity	0.6057	NPC117032
Remote Similarity	0.6047	NPC324445
Remote Similarity	0.6043	NPC314919
Remote Similarity	0.6033	NPC161861
Remote Similarity	0.6027	NPC291610
Remote Similarity	0.6026	NPC470546
Remote Similarity	0.6023	NPC136002
Remote Similarity	0.6022	NPC14325
Remote Similarity	0.6022	NPC28848
Remote Similarity	0.6012	NPC478186
Remote Similarity	0.601	NPC473763
Remote Similarity	0.601	NPC129909
Remote Similarity	0.601	NPC117244
Remote Similarity	0.6	NPC469938
Remote Similarity	0.6	NPC194881
Remote Similarity	0.6	NPC256893
Remote Similarity	0.6	NPC66936
Remote Similarity	0.5989	NPC470507
Remote Similarity	0.5979	NPC471785
Remote Similarity	0.5969	NPC311858
Remote Similarity	0.5967	NPC478182
Remote Similarity	0.5967	NPC189116
Remote Similarity	0.5957	NPC24864
Remote Similarity	0.5955	NPC84317
Remote Similarity	0.5955	NPC476464
Remote Similarity	0.5955	NPC94167
Remote Similarity	0.5955	NPC172937
Remote Similarity	0.5951	NPC150863
Remote Similarity	0.5949	NPC476990
Remote Similarity	0.5941	NPC104483
Remote Similarity	0.5938	NPC17059
Remote Similarity	0.593	NPC314186
Remote Similarity	0.5926	NPC250476
Remote Similarity	0.5926	NPC113626
Remote Similarity	0.5924	NPC264580
Remote Similarity	0.5917	NPC469560
Remote Similarity	0.5917	NPC471312
Remote Similarity	0.5916	NPC307396
Remote Similarity	0.5915	NPC187231
Remote Similarity	0.5912	NPC257490
Remote Similarity	0.5912	NPC71684
Remote Similarity	0.5912	NPC202521
Remote Similarity	0.5909	NPC473640
Remote Similarity	0.5909	NPC35850
Remote Similarity	0.5909	NPC276949
Remote Similarity	0.5907	NPC213629
Remote Similarity	0.5904	NPC133261
Remote Similarity	0.5902	NPC470509
Remote Similarity	0.5897	NPC316018
Remote Similarity	0.5897	NPC316359
Remote Similarity	0.5897	NPC315617
Remote Similarity	0.5897	NPC314058
Remote Similarity	0.5893	NPC198988
Remote Similarity	0.5892	NPC158129
Remote Similarity	0.5889	NPC293487
Remote Similarity	0.5887	NPC78154
Remote Similarity	0.5886	NPC226143
Remote Similarity	0.5885	NPC478077
Remote Similarity	0.5882	NPC243162
Remote Similarity	0.5882	NPC207554
Remote Similarity	0.5879	NPC100321
Remote Similarity	0.5879	NPC328270
Remote Similarity	0.5875	NPC252878
Remote Similarity	0.5873	NPC15840
Remote Similarity	0.5873	NPC11149
Remote Similarity	0.5872	NPC323198
Remote Similarity	0.5868	NPC162417
Remote Similarity	0.5868	NPC316104
Remote Similarity	0.5864	NPC165495
Remote Similarity	0.586	NPC148140
Remote Similarity	0.5858	NPC287358
Remote Similarity	0.5852	NPC37548
Remote Similarity	0.5851	NPC293472
Remote Similarity	0.5848	NPC2823
Remote Similarity	0.5843	NPC476689
Remote Similarity	0.5843	NPC476685
Remote Similarity	0.5843	NPC476687
Remote Similarity	0.5843	NPC325479
Remote Similarity	0.5842	NPC192270
Remote Similarity	0.5839	NPC46427
Remote Similarity	0.5839	NPC6975
Remote Similarity	0.5833	NPC54420
Remote Similarity	0.5833	NPC133003
Remote Similarity	0.5824	NPC314102
Remote Similarity	0.5824	NPC251722
Remote Similarity	0.5824	NPC83214
Remote Similarity	0.5823	NPC81561
Remote Similarity	0.5821	NPC475506
Remote Similarity	0.582	NPC248462
Remote Similarity	0.5819	NPC40070
Remote Similarity	0.5818	NPC314431
Remote Similarity	0.5818	NPC280807
Remote Similarity	0.5818	NPC472245
Remote Similarity	0.5815	NPC114637
Remote Similarity	0.5815	NPC478183
Remote Similarity	0.5813	NPC475915
Remote Similarity	0.5811	NPC329375
Remote Similarity	0.5806	NPC314141
Remote Similarity	0.5805	NPC242556
Remote Similarity	0.5801	NPC276085
Remote Similarity	0.5801	NPC154478
Remote Similarity	0.58	NPC192674
Remote Similarity	0.5799	NPC471123
Remote Similarity	0.5799	NPC267508
Remote Similarity	0.5798	NPC472122
Remote Similarity	0.5798	NPC121903
Remote Similarity	0.5798	NPC24594
Remote Similarity	0.5796	NPC147957
Remote Similarity	0.5796	NPC125416
Remote Similarity	0.5795	NPC109787
Remote Similarity	0.5792	NPC478184
Remote Similarity	0.5792	NPC155143
Remote Similarity	0.5789	NPC469426
Remote Similarity	0.5789	NPC130251
Remote Similarity	0.5789	NPC469427
Remote Similarity	0.5786	NPC291962
Remote Similarity	0.5786	NPC54102
Remote Similarity	0.5786	NPC177684
Remote Similarity	0.5786	NPC162689
Remote Similarity	0.5784	NPC317430
Remote Similarity	0.5777	NPC162860
Remote Similarity	0.5775	NPC472123
Remote Similarity	0.5769	NPC472102
Remote Similarity	0.5769	NPC255229
Remote Similarity	0.5769	NPC81229
Remote Similarity	0.5769	NPC143457
Remote Similarity	0.5769	NPC309531
Remote Similarity	0.5769	NPC315368
Remote Similarity	0.5767	NPC68354
Remote Similarity	0.5767	NPC122718
Remote Similarity	0.5767	NPC64436
Remote Similarity	0.5767	NPC234987
Remote Similarity	0.5767	NPC326575
Remote Similarity	0.5765	NPC325252
Remote Similarity	0.5763	NPC187951
Remote Similarity	0.5762	NPC45033
Remote Similarity	0.5758	NPC289299
Remote Similarity	0.5758	NPC57994

Drug Structure

NPD1865 OpenBabel08211701392D 23 25 0 0 1 0 0 0 0 0999 V2000 -0.9972 0.0747 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 4.7452 -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 3.8792 -2.6623 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 0.8104 -2.8807 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 1.3209 -1.2256 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 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 1.0329 -3.8557 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.1472 -2.6623 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 0.0000 -0.0000 0.0000 N 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 -0.0633 1.6923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1034 2.7037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 10 2 0 0 0 0 5 12 2 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 13 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 17 1 0 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 12 18 1 0 0 0 0 13 20 1 0 0 0 0 14 19 2 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 15 21 1 0 0 0 0 16 20 1 0 0 0 0 16 22 2 0 0 0 0 21 23 1 0 0 0 0 M END $$$$

External Identifiers

TTD	DIB018050
DrugBank
ChEMBL
IUPHAR/BPS
PharmaGKB
KEGG Drug
PubChem CID	13314
ChEBI
CAS Number

Drug Properties

Molecular Weight	334.03
ALogP	0.5278
MLogP	2.56
XLogP	3.594
HDA	4
HBD	1
Rotatable Bonds	5
TPSA	52.9
RO5 Violation	0