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CHEMDIV-ZINC00236287

 MMsINC code: MMs00844936
Type: Neutral
Formula: C11H8F4N2O
SMILES:   FC(F)(C(F)F)c1[nH]nc(c1)-c1ccccc1O
InChI:   InChI=1/C11H8F4N2O/c12-10(13)11(14,15)9-5-7(16-17-9)6-3-1-2-4-8(6)18/h1-5,10,18H,(H,16,17)

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Potential Energy
Epot(MMFF94)=66.4644 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.19 g/mol  logS: -3.21208  SlogP: 3.8706  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0412225  Sterimol/B1: 2.52696  Sterimol/B2: 2.74714  Sterimol/B3: 3.06111
  Sterimol/B4: 5.77528  Sterimol/L: 13.6369 
 
 Surface and Volume Properties
  Accessible surface: 425.416  Positive charged surface: 186.696  Negative charged surface: 238.72  Volume: 201.875
  Hydrophobic surface: 197.356  Hydrophilic surface: 228.06
 
 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.