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PUBCHEM-ZINC00369327

 MMsINC code: MMs02665119
Type: Neutral
Formula: C10H12F6N2O2
SMILES:   FC(F)(F)C(=O)NC1CCC(NC(=O)C(F)(F)F)CC1
InChI:   InChI=1/C10H12F6N2O2/c11-9(12,13)7(19)17-5-1-2-6(4-3-5)18-8(20)10(14,15)16/h5-6H,1-4H2,(H,17,19)(H,18,20)/t5-,6+

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Potential Energy
Epot(MMFF94)=91.0695 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.206 g/mol  logS: -3.05758  SlogP: 2.4944  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.157065  Sterimol/B1: 2.43978  Sterimol/B2: 2.6247  Sterimol/B3: 4.64227
  Sterimol/B4: 6.18996  Sterimol/L: 13.7185 
 
 Surface and Volume Properties
  Accessible surface: 454.277  Positive charged surface: 173.865  Negative charged surface: 280.411  Volume: 218.625
  Hydrophobic surface: 155.606  Hydrophilic surface: 298.671
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.