Drug Information

Drug ID:  NPD955
Drug Name:  Phenyl Aminosalicylate
Molecular Formula:  C13H11NO3
Canonical SMILES:  Nc1ccc(c(c1)O)C(=O)Oc1ccccc1
Standard InCHI:  InChI=1S/C13H11NO3/c14-9-6-7-11(12(15)8-9)13(16)17-10-4-2-1-3-5-10/h1-8,15H,14H2
Standard InCHIKey:  DNVVZWSVACQWJE-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD955

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

Drug Properties

Molecular Weight  229.07
ALogP  -1.3013
MLogP  2.45
XLogP  3.887
HDA  2
HBD  2
Rotatable Bonds  5
TPSA  72.55
RO5 Violation  0