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CHEMBRIDGE-ZINC00185460

 MMsINC code: MMs00593927
Type: Neutral
Formula: C10H8F3NO2
SMILES:   FC(F)(F)C1(ON=C(C1)c1ccccc1)O
InChI:   InChI=1/C10H8F3NO2/c11-10(12,13)9(15)6-8(14-16-9)7-4-2-1-3-5-7/h1-5,15H,6H2/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=68.5382 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 231.173 g/mol  logS: -2.88451  SlogP: 2.4818  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0577533  Sterimol/B1: 3.37019  Sterimol/B2: 3.41394  Sterimol/B3: 3.55235
  Sterimol/B4: 4.02747  Sterimol/L: 12.8815 
 
 Surface and Volume Properties
  Accessible surface: 397.073  Positive charged surface: 158.032  Negative charged surface: 239.041  Volume: 182.125
  Hydrophobic surface: 213.331  Hydrophilic surface: 183.742
 
 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.