Drug Information

Drug ID:  NPD381
Drug Name:  Sulfiram
Molecular Formula:  C10H20N2S3
Canonical SMILES:  CCN(C(=S)SC(=S)N(CC)CC)CC
Standard InCHI:  InChI=1S/C10H20N2S3/c1-5-11(6-2)9(13)15-10(14)12(7-3)8-4/h5-8H2,1-4H3
Standard InCHIKey:  CTPKSRZFJSJGML-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD381

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 0.7037 NPC258096
Remote Similarity 0.6429 NPC309367
Remote Similarity 0.5625 NPC263968

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  264.08
ALogP  3.5668
MLogP  2.01
XLogP  2.985
HDA  2
HBD  0
Rotatable Bonds  12
TPSA  95.96
RO5 Violation  0