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MAYBRIDGE-ZINC04390152

 MMsINC code: MMs02173918
Type: Neutral
Formula: C15H10F6N2
SMILES:   FC(F)(F)c1ccc(cc1)\C=N\Nc1ccc(cc1)C(F)(F)F
InChI:   InChI=1/C15H10F6N2/c16-14(17,18)11-3-1-10(2-4-11)9-22-23-13-7-5-12(6-8-13)15(19,20)21/h1-9,23H/b22-9+

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Potential Energy
Epot(MMFF94)=90.0891 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 332.247 g/mol  logS: -5.12001  SlogP: 5.7932  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00831798  Sterimol/B1: 2.5794  Sterimol/B2: 2.81277  Sterimol/B3: 2.81668
  Sterimol/B4: 5.56442  Sterimol/L: 17.1704 
 
 Surface and Volume Properties
  Accessible surface: 525.929  Positive charged surface: 182.78  Negative charged surface: 343.148  Volume: 262.875
  Hydrophobic surface: 277.499  Hydrophilic surface: 248.43
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.