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CHEMBRIDGE-ZINC02839236

 MMsINC code: MMs00723896
Type: Neutral
Formula: C8H8F7NO2
SMILES:   FC(F)(C(F)(F)C(F)(F)F)C(=O)N1CCOCC1
InChI:   InChI=1/C8H8F7NO2/c9-6(10,7(11,12)8(13,14)15)5(17)16-1-3-18-4-2-16/h1-4H2

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Potential Energy
Epot(MMFF94)=69.288 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 283.143 g/mol  logS: -2.43827  SlogP: 2.9378  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0939886  Sterimol/B1: 2.54726  Sterimol/B2: 2.94301  Sterimol/B3: 3.45408
  Sterimol/B4: 4.8233  Sterimol/L: 12.2674 
 
 Surface and Volume Properties
  Accessible surface: 389.174  Positive charged surface: 180.07  Negative charged surface: 209.104  Volume: 184.875
  Hydrophobic surface: 169.685  Hydrophilic surface: 219.489
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.