Drug Information

Drug ID:  NPD8191
Drug Name:  
Molecular Formula:  C3H4O4
Canonical SMILES:  [O-]C(=O)CC(=O)[O-]
Standard InCHI:  InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)/p-2
Standard InCHIKey:  OFOBLEOULBTSOW-UHFFFAOYSA-L
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD8191

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   DIB016325
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   10313457
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  102.00
ALogP  -1.8004
MLogP  1.35
XLogP  -1.261
HDA  4
HBD  0
Rotatable Bonds  4
TPSA  80.26
RO5 Violation  0