Drug Information

Drug ID:  NPD9072
Drug Name:  
Molecular Formula:  C6H5AsO
Canonical SMILES:  O=[As]c1ccccc1
Standard InCHI:  InChI=1S/C6H5AsO/c8-7-6-4-2-1-3-5-6/h1-5H
Standard InCHIKey:  BQVCCPGCDUSGOE-UHFFFAOYSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD9072

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

Drug Structure

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External Identifiers

TTD   DCL000134
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   4778
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  167.96
ALogP  
MLogP  1.9
XLogP  
HDA  1
HBD  0
Rotatable Bonds  1
TPSA  17.07
RO5 Violation  0