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PUBCHEM-ZINC05598784

 MMsINC code: MMs03318844
Type: Neutral
Formula: C15H14F3NO2S
SMILES:   S(=O)(=O)(Nc1ccc(cc1C)C)c1cc(ccc1)C(F)(F)F
InChI:   InChI=1/C15H14F3NO2S/c1-10-6-7-14(11(2)8-10)19-22(20,21)13-5-3-4-12(9-13)15(16,17)18/h3-9,19H,1-2H3

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Potential Energy
Epot(MMFF94)=60.0709 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 329.342 g/mol  logS: -4.73766  SlogP: 4.43454  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.24242  Sterimol/B1: 2.83549  Sterimol/B2: 3.19801  Sterimol/B3: 5.06134
  Sterimol/B4: 6.93836  Sterimol/L: 12.0184 
 
 Surface and Volume Properties
  Accessible surface: 497.21  Positive charged surface: 218.801  Negative charged surface: 278.409  Volume: 273.875
  Hydrophobic surface: 330.208  Hydrophilic surface: 167.002
 
 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.