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OTAVA-ZINC00466270

 MMsINC code: MMs02555231
Type: Neutral
Formula: C13H12FNO2S
SMILES:   S(=O)(=O)(Nc1ccc(cc1)C)c1cc(F)ccc1
InChI:   InChI=1/C13H12FNO2S/c1-10-5-7-12(8-6-10)15-18(16,17)13-4-2-3-11(14)9-13/h2-9,15H,1H3

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Potential Energy
Epot(MMFF94)=31.4146 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: 0.197299  Sterimol/B1: 3.31925  Sterimol/B2: 3.71507  Sterimol/B3: 4.01928
  Sterimol/B4: 5.98302  Sterimol/L: 12.6961 
 
 Surface and Volume Properties
  Accessible surface: 455.205  Positive charged surface: 228.29  Negative charged surface: 226.915  Volume: 233.375
  Hydrophobic surface: 374.51  Hydrophilic surface: 80.695
 
 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.