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ENAMINE-ZINC04921451

 MMsINC code: MMs01564338
Type: Neutral
Formula: C13H8F4N2
SMILES:   Fc1cc(F)ccc1N\N=C\c1cc(F)c(F)cc1
InChI:   InChI=1/C13H8F4N2/c14-9-2-4-13(12(17)6-9)19-18-7-8-1-3-10(15)11(16)5-8/h1-7,19H/b18-7+

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Potential Energy
Epot(MMFF94)=56.423 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.213 g/mol  logS: -4.18683  SlogP: 3.689  Reactive groups: 0
 
 Topological Properties
  Globularity: 3.36364e-07  Sterimol/B1: 2.09735  Sterimol/B2: 2.10212  Sterimol/B3: 2.79314
  Sterimol/B4: 5.62336  Sterimol/L: 14.9566 
 
 Surface and Volume Properties
  Accessible surface: 456.911  Positive charged surface: 204.403  Negative charged surface: 252.508  Volume: 220.875
  Hydrophobic surface: 416.846  Hydrophilic surface: 40.065
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.