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PUBCHEM-ZINC00610791

 MMsINC code: MMs02712492
Type: Neutral
Formula: C8H8F3NO2S
SMILES:   S(=O)(=O)(Nc1ccc(cc1)C(F)(F)F)C
InChI:   InChI=1/C8H8F3NO2S/c1-15(13,14)12-7-4-2-6(3-5-7)8(9,10)11/h2-5,12H,1H3

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Potential Energy
Epot(MMFF94)=30.5351 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 239.217 g/mol  logS: -2.27941  SlogP: 2.3884  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.123938  Sterimol/B1: 2.23613  Sterimol/B2: 2.54897  Sterimol/B3: 4.23692
  Sterimol/B4: 4.83999  Sterimol/L: 11.9309 
 
 Surface and Volume Properties
  Accessible surface: 382.815  Positive charged surface: 148.239  Negative charged surface: 234.576  Volume: 177.75
  Hydrophobic surface: 186.636  Hydrophilic surface: 196.179
 
 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.