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PUBCHEM-ZINC06025224

 MMsINC code: MMs03500209
Type: Neutral
Formula: C11H10F2N2O
SMILES:   FC(F)c1[nH]nc(c1)-c1cc(ccc1O)C
InChI:   InChI=1/C11H10F2N2O/c1-6-2-3-10(16)7(4-6)8-5-9(11(12)13)15-14-8/h2-5,11,16H,1H3,(H,14,15)

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Potential Energy
Epot(MMFF94)=49.5687 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.21 g/mol  logS: -2.98266  SlogP: 3.12382  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0163674  Sterimol/B1: 2.45295  Sterimol/B2: 2.49517  Sterimol/B3: 2.50358
  Sterimol/B4: 5.79197  Sterimol/L: 13.1912 
 
 Surface and Volume Properties
  Accessible surface: 411.48  Positive charged surface: 218.208  Negative charged surface: 193.272  Volume: 195.625
  Hydrophobic surface: 234.781  Hydrophilic surface: 176.699
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.