Drug Information

Drug ID:  NPD1281
Drug Name:  Naproxen Sodium
Molecular Formula:  C14H14O3.Na
Canonical SMILES:  COc1ccc2c(c1)ccc(c2)[C@@H](C(=O)[O-])C.[Na+]
Standard InCHI:  InChI=1S/C14H14O3.Na/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10;/h3-9H,1-2H3,(H,15,16);/q;+1/p-1/t9-;/m0./s1
Standard InCHIKey:  CDBRNDSHEYLDJV-FVGYRXGTSA-M
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD1281

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  229.09
ALogP  -0.6746
MLogP  2.67
XLogP  3.269
HDA  2
HBD  0
Rotatable Bonds  6
TPSA  49.36
RO5 Violation  0