Drug Information

Drug ID:  NPD9276
Drug Name:  Sodium Aminosalicylate
Molecular Formula:  C7H7NO3.Na
Canonical SMILES:  Nc1ccc(c(c1)[O-])C(=O)O.[Na+]
Standard InCHI:  InChI=1S/C7H7NO3.Na/c8-4-1-2-5(7(10)11)6(9)3-4;/h1-3,9H,8H2,(H,10,11);/q;+1/p-1
Standard InCHIKey:  FVVDKUPCWXUVNP-UHFFFAOYSA-M
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD9276

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  152.03
ALogP  -1.7838
MLogP  1.79
XLogP  1.023
HDA  3
HBD  2
Rotatable Bonds  4
TPSA  86.38
RO5 Violation  0