Drug Information

Drug ID:  NPD9186
Drug Name:  Mafenide
Molecular Formula:  C7H10N2O2S
Canonical SMILES:  NCc1ccc(cc1)S(=O)(=O)N
Standard InCHI:  InChI=1S/C7H10N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5,8H2,(H2,9,10,11)
Standard InCHIKey:  TYMRLRRVMHJFTF-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD9186

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   DIB010472
DrugBank   DB06795
ChEMBL   CHEMBL419
IUPHAR/BPS  
PharmaGKB  
KEGG Drug   D02351
PubChem CID  
ChEBI   6633
CAS Number  138-39-6

Drug Properties

Molecular Weight  186.05
ALogP  -1.6748
MLogP  1.68
XLogP  -0.207
HDA  4
HBD  2
Rotatable Bonds  4
TPSA  94.56
RO5 Violation  0