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OTAVA-ZINC00463903

 MMsINC code: MMs02555177
Type: Neutral
Formula: C13H9F4NO2S
SMILES:   S(=O)(=O)(Nc1ccc(F)cc1)c1cc(ccc1)C(F)(F)F
InChI:   InChI=1/C13H9F4NO2S/c14-10-4-6-11(7-5-10)18-21(19,20)12-3-1-2-9(8-12)13(15,16)17/h1-8,18H

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Potential Energy
Epot(MMFF94)=43.1708 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 319.278 g/mol  logS: -4.39825  SlogP: 3.9568  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.235471  Sterimol/B1: 2.96873  Sterimol/B2: 4.41641  Sterimol/B3: 5.1132
  Sterimol/B4: 5.46537  Sterimol/L: 11.1358 
 
 Surface and Volume Properties
  Accessible surface: 462.623  Positive charged surface: 176.666  Negative charged surface: 285.957  Volume: 242.375
  Hydrophobic surface: 283.563  Hydrophilic surface: 179.06
 
 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.