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PUBCHEM-ZINC00364065

 MMsINC code: MMs02663462
Type: Neutral
Formula: C13H12FNO2S
SMILES:   S(=O)(=O)(Nc1ccc(F)cc1)c1ccccc1C
InChI:   InChI=1/C13H12FNO2S/c1-10-4-2-3-5-13(10)18(16,17)15-12-8-6-11(14)7-9-12/h2-9,15H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=42.037 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.308 g/mol  logS: -3.50217  SlogP: 2.93492  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.320278  Sterimol/B1: 1.98864  Sterimol/B2: 3.66684  Sterimol/B3: 5.05046
  Sterimol/B4: 6.79152  Sterimol/L: 10.9716 
 
 Surface and Volume Properties
  Accessible surface: 433.596  Positive charged surface: 215.237  Negative charged surface: 218.359  Volume: 232
  Hydrophobic surface: 361.616  Hydrophilic surface: 71.98
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.