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CHEMBRIDGE-ZINC00187720

 MMsINC code: MMs00594124
Type: Neutral
Formula: C10H7F4NO2
SMILES:   Fc1ccc(cc1)C1=NOC(O)(C1)C(F)(F)F
InChI:   InChI=1/C10H7F4NO2/c11-7-3-1-6(2-4-7)8-5-9(16,17-15-8)10(12,13)14/h1-4,16H,5H2/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=67.9729 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 249.163 g/mol  logS: -3.17949  SlogP: 2.6209  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.057055  Sterimol/B1: 2.49429  Sterimol/B2: 3.2107  Sterimol/B3: 3.5729
  Sterimol/B4: 5.08578  Sterimol/L: 13.1614 
 
 Surface and Volume Properties
  Accessible surface: 395.782  Positive charged surface: 146.744  Negative charged surface: 249.038  Volume: 186.5
  Hydrophobic surface: 215.152  Hydrophilic surface: 180.63
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.