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CHEMDIV-ZINC03896302

 MMsINC code: MMs00917816
Type: Neutral
Formula: C10H11F3N2O2S
SMILES:   S(=O)(=O)(C)c1nc(c2CCCCc2n1)C(F)(F)F
InChI:   InChI=1/C10H11F3N2O2S/c1-18(16,17)9-14-7-5-3-2-4-6(7)8(15-9)10(11,12)13/h2-5H2,1H3

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Potential Energy
Epot(MMFF94)=85.3938 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 280.27 g/mol  logS: -3.32845  SlogP: 2.08914  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.104973  Sterimol/B1: 2.23684  Sterimol/B2: 3.61859  Sterimol/B3: 4.13789
  Sterimol/B4: 5.86902  Sterimol/L: 12.3129 
 
 Surface and Volume Properties
  Accessible surface: 440.695  Positive charged surface: 216.767  Negative charged surface: 223.928  Volume: 212.25
  Hydrophobic surface: 256.654  Hydrophilic surface: 184.041
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.