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ENAMINE-ZINC05262298

 MMsINC code: MMs01603647
Type: Neutral
Formula: C14H12F3NO2S
SMILES:   S(=O)(=O)(Nc1ccc(F)c(F)c1F)c1ccc(cc1)CC
InChI:   InChI=1/C14H12F3NO2S/c1-2-9-3-5-10(6-4-9)21(19,20)18-12-8-7-11(15)13(16)14(12)17/h3-8,18H,2H2,1H3

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Potential Energy
Epot(MMFF94)=45.2033 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 315.315 g/mol  logS: -4.9208  SlogP: 3.46707  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.152074  Sterimol/B1: 3.76722  Sterimol/B2: 4.02839  Sterimol/B3: 4.24208
  Sterimol/B4: 6.20774  Sterimol/L: 13.0538 
 
 Surface and Volume Properties
  Accessible surface: 493.557  Positive charged surface: 230.035  Negative charged surface: 263.522  Volume: 255.75
  Hydrophobic surface: 388.763  Hydrophilic surface: 104.794
 
 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.