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ENAMINE-ZINC03368676

 MMsINC code: MMs01400336
Type: Neutral
Formula: C14H11FN2O2S
SMILES:   S(=O)(=O)(Nc1ccc(F)cc1C)c1ccccc1C#N
InChI:   InChI=1/C14H11FN2O2S/c1-10-8-12(15)6-7-13(10)17-20(18,19)14-5-3-2-4-11(14)9-16/h2-8,17H,1H3

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Potential Energy
Epot(MMFF94)=42.5338 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.318 g/mol  logS: -3.8531  SlogP: 2.8066  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.138899  Sterimol/B1: 3.50632  Sterimol/B2: 3.81168  Sterimol/B3: 4.40527
  Sterimol/B4: 6.30658  Sterimol/L: 12.3442 
 
 Surface and Volume Properties
  Accessible surface: 466.681  Positive charged surface: 208.756  Negative charged surface: 257.925  Volume: 250.75
  Hydrophobic surface: 342.635  Hydrophilic surface: 124.046
 
 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.