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PUBCHEM-ZINC05975737

 MMsINC code: MMs03471219
Type: Neutral
Formula: C14H13FN2O2S
SMILES:   S(=O)(=O)(N\N=C(/C)\c1ccccc1F)c1ccccc1
InChI:   InChI=1/C14H13FN2O2S/c1-11(13-9-5-6-10-14(13)15)16-17-20(18,19)12-7-3-2-4-8-12/h2-10,17H,1H3/b16-11-

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Potential Energy
Epot(MMFF94)=87.8245 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.334 g/mol  logS: -4.11378  SlogP: 2.5282  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.126493  Sterimol/B1: 2.2243  Sterimol/B2: 2.38101  Sterimol/B3: 5.62758
  Sterimol/B4: 6.94185  Sterimol/L: 14.0157 
 
 Surface and Volume Properties
  Accessible surface: 503.278  Positive charged surface: 243.151  Negative charged surface: 260.127  Volume: 258.25
  Hydrophobic surface: 421.202  Hydrophilic surface: 82.076
 
 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.