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CHEMBRIDGE-ZINC01644565

 MMsINC code: MMs00694834
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-/m1/s1

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Potential Energy
Epot(MMFF94)=82.3309 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: 0.168726  Sterimol/B1: 2.31267  Sterimol/B2: 4.01105  Sterimol/B3: 4.81291
  Sterimol/B4: 5.56026  Sterimol/L: 13.7189 
 
 Surface and Volume Properties
  Accessible surface: 467.892  Positive charged surface: 254.23  Negative charged surface: 213.662  Volume: 236
  Hydrophobic surface: 236.209  Hydrophilic surface: 231.683
 
 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.