Drug Information

Drug ID:  NPD8577
Drug Name:  Procysteine
Molecular Formula:  C4H5NO3S
Canonical SMILES:  OC(=O)[C@@H]1CSC(=N1)O
Standard InCHI:  InChI=1S/C4H5NO3S/c6-3(7)2-1-9-4(8)5-2/h2H,1H2,(H,5,8)(H,6,7)/t2-/m0/s1
Standard InCHIKey:  BMLMGCPTLHPWPY-REOHCLBHSA-N
Max Developmental Stage:  Discontinued
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD8577

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
Intermediate Similarity 0.7551 NPC306238
Intermediate Similarity 0.7551 NPC248970
Intermediate Similarity 0.74 NPC204364
Intermediate Similarity 0.7115 NPC152451
Intermediate Similarity 0.7115 NPC170739
Intermediate Similarity 0.7115 NPC193989
Remote Similarity 0.6981 NPC114990
Remote Similarity 0.678 NPC321419
Remote Similarity 0.6735 NPC326808
Remote Similarity 0.6735 NPC254482
Remote Similarity 0.6735 NPC317691
Remote Similarity 0.6735 NPC110533
Remote Similarity 0.6727 NPC317815
Remote Similarity 0.6667 NPC319175
Remote Similarity 0.6607 NPC145235
Remote Similarity 0.6552 NPC283786
Remote Similarity 0.6538 NPC136476
Remote Similarity 0.6538 NPC213876
Remote Similarity 0.6538 NPC185755
Remote Similarity 0.6538 NPC49952
Remote Similarity 0.6538 NPC198196
Remote Similarity 0.6491 NPC102815
Remote Similarity 0.6271 NPC82239
Remote Similarity 0.625 NPC29950
Remote Similarity 0.625 NPC19576
Remote Similarity 0.6226 NPC228932
Remote Similarity 0.6111 NPC118187
Remote Similarity 0.6087 NPC14778
Remote Similarity 0.6071 NPC327239
Remote Similarity 0.6071 NPC125736
Remote Similarity 0.6 NPC318523
Remote Similarity 0.5926 NPC297220
Remote Similarity 0.5745 NPC260324
Remote Similarity 0.5741 NPC191136
Remote Similarity 0.5714 NPC227850
Remote Similarity 0.5714 NPC21290
Remote Similarity 0.5714 NPC116709
Remote Similarity 0.5714 NPC272614
Remote Similarity 0.5692 NPC289691
Remote Similarity 0.5686 NPC327250
Remote Similarity 0.5614 NPC328378
Remote Similarity 0.5606 NPC325597
Remote Similarity 0.5606 NPC174304
Remote Similarity 0.56 NPC63621

Drug Structure

External Identifiers

TTD   DIB015638
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  147.00
ALogP  0.6421
MLogP  1.35
XLogP  -0.384
HDA  4
HBD  2
Rotatable Bonds  3
TPSA  95.19
RO5 Violation  0