Drug Information

Drug ID:  NPD9280
Drug Name:  
Molecular Formula:  C7H7NO4
Canonical SMILES:  ON=C(c1ccc(c(c1)O)O)O
Standard InCHI:  InChI=1S/C7H7NO4/c9-5-2-1-4(3-6(5)10)7(11)8-12/h1-3,9-10,12H,(H,8,11)
Standard InCHIKey:  QJMCKEPOKRERLN-UHFFFAOYSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD9280

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

This browser does not support HTML5/Canvas.

External Identifiers

TTD   DNC000557
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   3045
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  169.04
ALogP  -1.1185
MLogP  1.68
XLogP  0.779
HDA  1
HBD  4
Rotatable Bonds  5
TPSA  93.28
RO5 Violation  0