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ENAMINE-ZINC00295251

 MMsINC code: MMs01228171
Type: Neutral
Formula: C15H14F3NO2S
SMILES:   S(=O)(=O)(Nc1cc(ccc1)C(F)(F)F)c1cc(ccc1C)C
InChI:   InChI=1/C15H14F3NO2S/c1-10-6-7-11(2)14(8-10)22(20,21)19-13-5-3-4-12(9-13)15(16,17)18/h3-9,19H,1-2H3

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Potential Energy
Epot(MMFF94)=61.3317 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: 0.333874  Sterimol/B1: 2.12601  Sterimol/B2: 4.00902  Sterimol/B3: 5.19908
  Sterimol/B4: 7.46394  Sterimol/L: 12.2073 
 
 Surface and Volume Properties
  Accessible surface: 508.127  Positive charged surface: 218.589  Negative charged surface: 289.538  Volume: 271.25
  Hydrophobic surface: 334.059  Hydrophilic surface: 174.068
 
 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.