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OTAVA-ZINC00463299

 MMsINC code: MMs02555164
Type: Neutral
Formula: C13H12FNO2S
SMILES:   S(=O)(=O)(Nc1ccccc1F)c1cc(ccc1)C
InChI:   InChI=1/C13H12FNO2S/c1-10-5-4-6-11(9-10)18(16,17)15-13-8-3-2-7-12(13)14/h2-9,15H,1H3

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Potential Energy
Epot(MMFF94)=43.951 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.308 g/mol  logS: -3.81562  SlogP: 2.93492  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.243827  Sterimol/B1: 1.969  Sterimol/B2: 4.06091  Sterimol/B3: 4.16894
  Sterimol/B4: 7.65032  Sterimol/L: 10.6917 
 
 Surface and Volume Properties
  Accessible surface: 446.543  Positive charged surface: 220.9  Negative charged surface: 225.643  Volume: 232.875
  Hydrophobic surface: 366.19  Hydrophilic surface: 80.353
 
 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.