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ENAMINE-ZINC03532618

 MMsINC code: MMs01494484
Type: Neutral
Formula: C12H8F3NO2S
SMILES:   S(=O)(=O)(Nc1cc(F)ccc1)c1c(F)cccc1F
InChI:   InChI=1/C12H8F3NO2S/c13-8-3-1-4-9(7-8)16-19(17,18)12-10(14)5-2-6-11(12)15/h1-7,16H

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Potential Energy
Epot(MMFF94)=14.2161 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 287.261 g/mol  logS: -3.93166  SlogP: 2.9047  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.272646  Sterimol/B1: 2.4636  Sterimol/B2: 3.65768  Sterimol/B3: 5.44642
  Sterimol/B4: 5.62137  Sterimol/L: 11.1248 
 
 Surface and Volume Properties
  Accessible surface: 426.836  Positive charged surface: 183.887  Negative charged surface: 242.95  Volume: 220.25
  Hydrophobic surface: 350.191  Hydrophilic surface: 76.645
 
 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.