NPASS drugs

Drug Information

Drug ID:	NPD8214
Drug Name:	Cysteine Hydrochloride
Molecular Formula:	C3H7NO2S.ClH
Canonical SMILES:	N[C@H](C(=O)O)CS.Cl
Standard InCHI:	InChI=1S/C3H7NO2S.ClH/c4-2(1-7)3(5)6;/h2,7H,1,4H2,(H,5,6);1H/t2-;/m0./s1
Standard InCHIKey:	IFQSXNOEEPCSLW-DKWTVANSSA-N
Max Developmental Stage:	Approved
Max Developmental Stage Source:	ChEMBL

Structural Similarity Between NPASS Natural Products and NPD8214

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	5782
0.1-0.2	21599
0.2-0.3	2701
0.3-0.4	530
0.4-0.5	117
0.5-0.6	75
0.6-0.7	46
0.7-0.8	21
0.8-0.85	10
0.85-0.9	3
0.9-0.95	2
0.95-1	4

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	1.0	NPC326808
High Similarity	1.0	NPC317691
High Similarity	1.0	NPC254482
High Similarity	1.0	NPC110533
High Similarity	0.9048	NPC49952
High Similarity	0.9048	NPC136476
High Similarity	0.8605	NPC213876
High Similarity	0.8605	NPC228932
High Similarity	0.8605	NPC185755
Intermediate Similarity	0.8409	NPC204364
Intermediate Similarity	0.8409	NPC118187
Intermediate Similarity	0.8222	NPC318523
Intermediate Similarity	0.8205	NPC21290
Intermediate Similarity	0.8205	NPC116709
Intermediate Similarity	0.8205	NPC272614
Intermediate Similarity	0.8043	NPC170739
Intermediate Similarity	0.8043	NPC193989
Intermediate Similarity	0.8043	NPC152451
Intermediate Similarity	0.8	NPC63621
Intermediate Similarity	0.7955	NPC191136
Intermediate Similarity	0.7872	NPC319175
Intermediate Similarity	0.7872	NPC125736
Intermediate Similarity	0.7872	NPC114990
Intermediate Similarity	0.7551	NPC317815
Intermediate Similarity	0.7442	NPC121517
Intermediate Similarity	0.7442	NPC326992
Intermediate Similarity	0.7442	NPC53449
Intermediate Similarity	0.7442	NPC168375
Intermediate Similarity	0.7442	NPC326212
Intermediate Similarity	0.7442	NPC237525
Intermediate Similarity	0.74	NPC145235
Intermediate Similarity	0.7391	NPC198196
Intermediate Similarity	0.7391	NPC248970
Intermediate Similarity	0.7391	NPC306238
Intermediate Similarity	0.7273	NPC226265
Intermediate Similarity	0.7273	NPC219143
Intermediate Similarity	0.7255	NPC102815
Intermediate Similarity	0.7111	NPC167986
Intermediate Similarity	0.7111	NPC291186
Intermediate Similarity	0.7	NPC114517
Remote Similarity	0.6981	NPC82239
Remote Similarity	0.6981	NPC283786
Remote Similarity	0.6957	NPC325097
Remote Similarity	0.6957	NPC126925
Remote Similarity	0.6957	NPC132307
Remote Similarity	0.6957	NPC198301
Remote Similarity	0.6842	NPC126681
Remote Similarity	0.6809	NPC327698
Remote Similarity	0.6809	NPC329263
Remote Similarity	0.6809	NPC118459
Remote Similarity	0.6809	NPC285322
Remote Similarity	0.6809	NPC208793
Remote Similarity	0.6667	NPC66043
Remote Similarity	0.6667	NPC309658
Remote Similarity	0.6667	NPC297220
Remote Similarity	0.6607	NPC321419
Remote Similarity	0.6579	NPC320704
Remote Similarity	0.6552	NPC289691
Remote Similarity	0.6531	NPC136159
Remote Similarity	0.6531	NPC181588
Remote Similarity	0.6531	NPC316168
Remote Similarity	0.6512	NPC9294
Remote Similarity	0.6441	NPC174304
Remote Similarity	0.6441	NPC325597
Remote Similarity	0.64	NPC140872
Remote Similarity	0.64	NPC93081
Remote Similarity	0.64	NPC153370
Remote Similarity	0.6275	NPC324825
Remote Similarity	0.6275	NPC245027
Remote Similarity	0.6275	NPC286989
Remote Similarity	0.6275	NPC62045
Remote Similarity	0.6275	NPC112890
Remote Similarity	0.6275	NPC226027
Remote Similarity	0.6275	NPC43204
Remote Similarity	0.6275	NPC174246
Remote Similarity	0.6275	NPC93888
Remote Similarity	0.6275	NPC84636
Remote Similarity	0.6275	NPC162620
Remote Similarity	0.6275	NPC316231
Remote Similarity	0.6275	NPC270805
Remote Similarity	0.6222	NPC18188
Remote Similarity	0.6154	NPC137958
Remote Similarity	0.6154	NPC273330
Remote Similarity	0.6154	NPC315977
Remote Similarity	0.6038	NPC200550
Remote Similarity	0.6038	NPC155156
Remote Similarity	0.5962	NPC328378
Remote Similarity	0.5926	NPC197087
Remote Similarity	0.5926	NPC329495
Remote Similarity	0.5926	NPC190184
Remote Similarity	0.5909	NPC134570
Remote Similarity	0.5873	NPC319046
Remote Similarity	0.5818	NPC322091
Remote Similarity	0.5818	NPC279661
Remote Similarity	0.5818	NPC321118
Remote Similarity	0.5818	NPC183845
Remote Similarity	0.5818	NPC60672
Remote Similarity	0.5818	NPC316889
Remote Similarity	0.5781	NPC126779
Remote Similarity	0.5758	NPC315897
Remote Similarity	0.5714	NPC276294
Remote Similarity	0.5714	NPC327831
Remote Similarity	0.5714	NPC2801
Remote Similarity	0.5714	NPC10915
Remote Similarity	0.5714	NPC107645
Remote Similarity	0.5714	NPC16947
Remote Similarity	0.5652	NPC69179
Remote Similarity	0.5652	NPC216443
Remote Similarity	0.5614	NPC38463
Remote Similarity	0.5614	NPC325985
Remote Similarity	0.56	NPC323974

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight	121.02
ALogP	-0.6242
MLogP	1.35
XLogP	-2.575
HDA	3
HBD	2
Rotatable Bonds	5
TPSA	102.12
RO5 Violation	0