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CHEMBRIDGE-ZINC03156934

 MMsINC code: MMs00752607
Type: Neutral
Formula: C10H16F6N2O2
SMILES:   FC(F)(F)C(NC(CC)C)(NC(OCC)=O)C(F)(F)F
InChI:   InChI=1/C10H16F6N2O2/c1-4-6(3)17-8(9(11,12)13,10(14,15)16)18-7(19)20-5-2/h6,17H,4-5H2,1-3H3,(H,18,19)/t6-/m0/s1

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Potential Energy
Epot(MMFF94)=76.7685 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.238 g/mol  logS: -3.01221  SlogP: 3.7813  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.145785  Sterimol/B1: 2.44386  Sterimol/B2: 3.59635  Sterimol/B3: 4.06279
  Sterimol/B4: 6.87007  Sterimol/L: 13.1991 
 
 Surface and Volume Properties
  Accessible surface: 464.73  Positive charged surface: 250.061  Negative charged surface: 214.67  Volume: 238
  Hydrophobic surface: 233.293  Hydrophilic surface: 231.437
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.