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.


  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