Drug Information

Drug ID:  NPD9382
Drug Name:  Pyridoxine Hydrochloride
Molecular Formula:  C8H11NO3.ClH
Canonical SMILES:  OCc1c(CO)cnc(c1O)C.Cl
Standard InCHI:  InChI=1S/C8H11NO3.ClH/c1-5-8(12)7(4-11)6(3-10)2-9-5;/h2,10-12H,3-4H2,1H3;1H
Standard InCHIKey:  ZUFQODAHGAHPFQ-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD9382

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

Drug Properties

Molecular Weight  169.07
ALogP  -0.9182
MLogP  1.9
XLogP  -0.677
HDA  3
HBD  3
Rotatable Bonds  6
TPSA  73.58
RO5 Violation  0