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ENAMINE-ZINC03532613

 MMsINC code: MMs01494479
Type: Neutral
Formula: C13H11F2NO2S
SMILES:   S(=O)(=O)(Nc1cc(ccc1)C)c1c(F)cccc1F
InChI:   InChI=1/C13H11F2NO2S/c1-9-4-2-5-10(8-9)16-19(17,18)13-11(14)6-3-7-12(13)15/h2-8,16H,1H3

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Potential Energy
Epot(MMFF94)=21.3356 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 283.298 g/mol  logS: -4.1106  SlogP: 3.07402  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.266167  Sterimol/B1: 2.57907  Sterimol/B2: 2.67798  Sterimol/B3: 4.93466
  Sterimol/B4: 6.24535  Sterimol/L: 11.622 
 
 Surface and Volume Properties
  Accessible surface: 452.636  Positive charged surface: 225.62  Negative charged surface: 227.016  Volume: 231.875
  Hydrophobic surface: 376.545  Hydrophilic surface: 76.091
 
 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.