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CHEMBRIDGE-ZINC02895838

 MMsINC code: MMs00737709
Type: Neutral
Formula: C8H11F4NO3
SMILES:   FC(OC)(C(=O)N1CCOCC1)C(F)(F)F
InChI:   InChI=1/C8H11F4NO3/c1-15-7(9,8(10,11)12)6(14)13-2-4-16-5-3-13/h2-5H2,1H3/t7-/m1/s1

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Potential Energy
Epot(MMFF94)=80.8786 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 245.172 g/mol  logS: -1.55388  SlogP: 1.5595  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.131455  Sterimol/B1: 2.63105  Sterimol/B2: 2.66612  Sterimol/B3: 3.94488
  Sterimol/B4: 5.5649  Sterimol/L: 10.9976 
 
 Surface and Volume Properties
  Accessible surface: 379.464  Positive charged surface: 245.761  Negative charged surface: 133.703  Volume: 184.125
  Hydrophobic surface: 234.061  Hydrophilic surface: 145.403
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.