NPASS drugs

Drug Information

Drug ID:	NPD1801
Drug Name:	Tetracaine Hydrochloride
Molecular Formula:	C15H24N2O2.ClH
Canonical SMILES:	CCCCNc1ccc(cc1)C(=O)OCCN(C)C.Cl
Standard InCHI:	InChI=1S/C15H24N2O2.ClH/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3;/h6-9,16H,4-5,10-12H2,1-3H3;1H
Standard InCHIKey:	PPWHTZKZQNXVAE-UHFFFAOYSA-N
Max Developmental Stage:	Approved
Max Developmental Stage Source:	ChEMBL

Structural Similarity Between NPASS Natural Products and NPD1801

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	145
0.1-0.2	1299
0.2-0.3	5473
0.3-0.4	8155
0.4-0.5	11488
0.5-0.6	3714
0.6-0.7	555
0.7-0.8	55
0.8-0.85	5
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	0.9416	NPC319645
Intermediate Similarity	0.8392	NPC173295
Intermediate Similarity	0.8369	NPC314098
Intermediate Similarity	0.8224	NPC314223
Intermediate Similarity	0.8176	NPC470971
Intermediate Similarity	0.8041	NPC242933
Intermediate Similarity	0.7867	NPC43477
Intermediate Similarity	0.7823	NPC253476
Intermediate Similarity	0.7692	NPC226794
Intermediate Similarity	0.766	NPC150323
Intermediate Similarity	0.7603	NPC122235
Intermediate Similarity	0.7586	NPC322433
Intermediate Similarity	0.7582	NPC472241
Intermediate Similarity	0.7517	NPC205946
Intermediate Similarity	0.7516	NPC123241
Intermediate Similarity	0.7516	NPC61013
Intermediate Similarity	0.7469	NPC193410
Intermediate Similarity	0.7451	NPC472243
Intermediate Similarity	0.7436	NPC472242
Intermediate Similarity	0.7434	NPC287358
Intermediate Similarity	0.7423	NPC248117
Intermediate Similarity	0.741	NPC57051
Intermediate Similarity	0.7397	NPC472244
Intermediate Similarity	0.7397	NPC470343
Intermediate Similarity	0.7378	NPC293458
Intermediate Similarity	0.7283	NPC159963
Intermediate Similarity	0.7251	NPC186669
Intermediate Similarity	0.7225	NPC288305
Intermediate Similarity	0.7212	NPC474058
Intermediate Similarity	0.7202	NPC167724
Intermediate Similarity	0.7202	NPC223595
Intermediate Similarity	0.7202	NPC224970
Intermediate Similarity	0.72	NPC472245
Intermediate Similarity	0.7197	NPC308197
Intermediate Similarity	0.7134	NPC36836
Intermediate Similarity	0.7134	NPC63370
Intermediate Similarity	0.7119	NPC14994
Intermediate Similarity	0.7103	NPC226143
Intermediate Similarity	0.7102	NPC322621
Intermediate Similarity	0.7095	NPC25401
Intermediate Similarity	0.7093	NPC264482
Intermediate Similarity	0.7093	NPC203202
Intermediate Similarity	0.7079	NPC316405
Intermediate Similarity	0.7076	NPC73280
Intermediate Similarity	0.7075	NPC26285
Intermediate Similarity	0.7063	NPC478039
Intermediate Similarity	0.7062	NPC160381
Intermediate Similarity	0.7048	NPC36495
Intermediate Similarity	0.7044	NPC314186
Intermediate Similarity	0.7041	NPC472115
Intermediate Similarity	0.7041	NPC472114
Intermediate Similarity	0.7037	NPC473329
Intermediate Similarity	0.7034	NPC229353
Intermediate Similarity	0.702	NPC150863
Intermediate Similarity	0.7011	NPC6974
Intermediate Similarity	0.7011	NPC218594
Intermediate Similarity	0.7011	NPC321211
Intermediate Similarity	0.7011	NPC99043
Intermediate Similarity	0.7	NPC314278
Intermediate Similarity	0.7	NPC250476
Intermediate Similarity	0.7	NPC22476
Remote Similarity	0.6989	NPC470317
Remote Similarity	0.6987	NPC281104
Remote Similarity	0.6977	NPC177261
Remote Similarity	0.6975	NPC242000
Remote Similarity	0.6974	NPC280807
Remote Similarity	0.6974	NPC314431
Remote Similarity	0.6949	NPC97584
Remote Similarity	0.6949	NPC471742
Remote Similarity	0.6944	NPC5630
Remote Similarity	0.6941	NPC182131
Remote Similarity	0.6939	NPC130931
Remote Similarity	0.6932	NPC197335
Remote Similarity	0.6928	NPC231382
Remote Similarity	0.6923	NPC189116
Remote Similarity	0.6919	NPC103361
Remote Similarity	0.6919	NPC292265
Remote Similarity	0.6906	NPC203628
Remote Similarity	0.6895	NPC285192
Remote Similarity	0.6893	NPC314659
Remote Similarity	0.6872	NPC87391
Remote Similarity	0.6867	NPC161827
Remote Similarity	0.6863	NPC194562
Remote Similarity	0.6848	NPC303214
Remote Similarity	0.6845	NPC232600
Remote Similarity	0.6839	NPC118940
Remote Similarity	0.6839	NPC329338
Remote Similarity	0.6839	NPC469726
Remote Similarity	0.6832	NPC190945
Remote Similarity	0.6828	NPC123395
Remote Similarity	0.6824	NPC313757
Remote Similarity	0.6821	NPC249614
Remote Similarity	0.6816	NPC49184
Remote Similarity	0.6795	NPC316104
Remote Similarity	0.6795	NPC162417
Remote Similarity	0.6793	NPC135950
Remote Similarity	0.6786	NPC471197
Remote Similarity	0.6784	NPC299582
Remote Similarity	0.6782	NPC285622
Remote Similarity	0.6782	NPC191310
Remote Similarity	0.6765	NPC282339
Remote Similarity	0.6765	NPC99632
Remote Similarity	0.6763	NPC38262
Remote Similarity	0.6761	NPC14849
Remote Similarity	0.6758	NPC313293
Remote Similarity	0.6751	NPC471198
Remote Similarity	0.6748	NPC259678
Remote Similarity	0.6746	NPC97380
Remote Similarity	0.6746	NPC63210
Remote Similarity	0.6746	NPC243673
Remote Similarity	0.6746	NPC310403
Remote Similarity	0.6746	NPC263709
Remote Similarity	0.6746	NPC148468
Remote Similarity	0.6744	NPC214960
Remote Similarity	0.6744	NPC471652
Remote Similarity	0.6744	NPC279527
Remote Similarity	0.674	NPC181928
Remote Similarity	0.6732	NPC72473
Remote Similarity	0.6732	NPC307437
Remote Similarity	0.6732	NPC58827
Remote Similarity	0.6724	NPC318183
Remote Similarity	0.6723	NPC131450
Remote Similarity	0.6723	NPC147298
Remote Similarity	0.6723	NPC182057
Remote Similarity	0.6711	NPC179605
Remote Similarity	0.6711	NPC279385
Remote Similarity	0.6708	NPC301702
Remote Similarity	0.6707	NPC315829
Remote Similarity	0.6706	NPC27904
Remote Similarity	0.6706	NPC93653
Remote Similarity	0.6705	NPC84347
Remote Similarity	0.6684	NPC477979
Remote Similarity	0.6684	NPC100863
Remote Similarity	0.6667	NPC253667
Remote Similarity	0.6667	NPC257763
Remote Similarity	0.6667	NPC286871
Remote Similarity	0.6667	NPC83111
Remote Similarity	0.6667	NPC245916
Remote Similarity	0.6667	NPC103292
Remote Similarity	0.6667	NPC176983
Remote Similarity	0.6667	NPC478075
Remote Similarity	0.6667	NPC35510
Remote Similarity	0.6667	NPC471778
Remote Similarity	0.6667	NPC473298
Remote Similarity	0.665	NPC36405
Remote Similarity	0.6649	NPC132539
Remote Similarity	0.6649	NPC87714
Remote Similarity	0.6648	NPC248862
Remote Similarity	0.6648	NPC328611
Remote Similarity	0.6644	NPC291962
Remote Similarity	0.6644	NPC177684
Remote Similarity	0.6642	NPC78701
Remote Similarity	0.6642	NPC35448
Remote Similarity	0.6632	NPC329567
Remote Similarity	0.6632	NPC330683
Remote Similarity	0.663	NPC138370
Remote Similarity	0.6627	NPC144691
Remote Similarity	0.6625	NPC181527
Remote Similarity	0.6615	NPC195787
Remote Similarity	0.6615	NPC246140
Remote Similarity	0.6613	NPC198205
Remote Similarity	0.6613	NPC21483
Remote Similarity	0.6609	NPC470894
Remote Similarity	0.6607	NPC107287
Remote Similarity	0.66	NPC112373
Remote Similarity	0.66	NPC161956
Remote Similarity	0.66	NPC258531
Remote Similarity	0.6597	NPC207971
Remote Similarity	0.6596	NPC218733
Remote Similarity	0.6596	NPC476198
Remote Similarity	0.6596	NPC132874
Remote Similarity	0.6596	NPC265642
Remote Similarity	0.6596	NPC138615
Remote Similarity	0.6594	NPC146351
Remote Similarity	0.659	NPC52059
Remote Similarity	0.659	NPC470069
Remote Similarity	0.6588	NPC153694
Remote Similarity	0.6588	NPC211525
Remote Similarity	0.6583	NPC77777
Remote Similarity	0.6581	NPC311753
Remote Similarity	0.6576	NPC45389
Remote Similarity	0.6576	NPC469489
Remote Similarity	0.6576	NPC474059
Remote Similarity	0.6571	NPC472118
Remote Similarity	0.657	NPC199737
Remote Similarity	0.6569	NPC249912
Remote Similarity	0.6569	NPC92754
Remote Similarity	0.6569	NPC276775
Remote Similarity	0.6564	NPC478040
Remote Similarity	0.6562	NPC475147
Remote Similarity	0.6562	NPC268077
Remote Similarity	0.6557	NPC21425
Remote Similarity	0.6557	NPC473815
Remote Similarity	0.6545	NPC1464
Remote Similarity	0.6543	NPC471164
Remote Similarity	0.6543	NPC198390
Remote Similarity	0.6536	NPC192533
Remote Similarity	0.6533	NPC312645
Remote Similarity	0.6528	NPC24777
Remote Similarity	0.6527	NPC214239

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight	264.18
ALogP	-0.7836
MLogP	2.67
XLogP	2.917
HDA	4
HBD	1
Rotatable Bonds	12
TPSA	41.57
RO5 Violation	0