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PUBCHEM-ZINC05294332

 MMsINC code: MMs03234264
Type: Neutral
Formula: C11H16F6N2O2
SMILES:   FC(F)(C(F)(F)C(=O)NC(C)C)C(F)(F)C(=O)NC(C)C
InChI:   InChI=1/C11H16F6N2O2/c1-5(2)18-7(20)9(12,13)11(16,17)10(14,15)8(21)19-6(3)4/h5-6H,1-4H3,(H,18,20)(H,19,21)

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Potential Energy
Epot(MMFF94)=58.376 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 322.249 g/mol  logS: -3.35454  SlogP: 3.2012  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0433933  Sterimol/B1: 2.31831  Sterimol/B2: 2.62941  Sterimol/B3: 3.4371
  Sterimol/B4: 4.92  Sterimol/L: 16.5398 
 
 Surface and Volume Properties
  Accessible surface: 514.606  Positive charged surface: 267.41  Negative charged surface: 247.197  Volume: 251
  Hydrophobic surface: 235.264  Hydrophilic surface: 279.342
 
 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.