Drug Information

Drug ID:  NPD8569
Drug Name:  
Molecular Formula:  C4H4ClNS
Canonical SMILES:  ClCc1cscn1
Standard InCHI:  InChI=1S/C4H4ClNS/c5-1-4-2-7-3-6-4/h2-3H,1H2
Standard InCHIKey:  QKWSLYINUYKIRF-UHFFFAOYSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD8569

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 0.8933 NPC148983
Remote Similarity 0.679 NPC101174
Remote Similarity 0.6484 NPC261708
Remote Similarity 0.598 NPC323937
Remote Similarity 0.5701 NPC162460

Drug Structure

External Identifiers

TTD   DIB003900
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   2763289
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  132.98
ALogP  1.3465
MLogP  1.57
XLogP  1.562
HDA  1
HBD  0
Rotatable Bonds  2
TPSA  41.13
RO5 Violation  0