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PUBCHEM-ZINC06691772

 MMsINC code: MMs03839320
Type: Neutral
Formula: C14H13FN2O2S
SMILES:   S(=O)(=O)(N\C(=N/C)\c1ccc(F)cc1)c1ccccc1
InChI:   InChI=1/C14H13FN2O2S/c1-16-14(11-7-9-12(15)10-8-11)17-20(18,19)13-5-3-2-4-6-13/h2-10H,1H3,(H,16,17)

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Potential Energy
Epot(MMFF94)=35.6867 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.334 g/mol  logS: -3.96771  SlogP: 2.1806  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.201401  Sterimol/B1: 2.4821  Sterimol/B2: 2.55456  Sterimol/B3: 6.14036
  Sterimol/B4: 6.43401  Sterimol/L: 13.8309 
 
 Surface and Volume Properties
  Accessible surface: 478.869  Positive charged surface: 260.596  Negative charged surface: 218.274  Volume: 257.75
  Hydrophobic surface: 400.835  Hydrophilic surface: 78.034
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.