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ENAMINE-ZINC05418000

 MMsINC code: MMs01610828
Type: Neutral
Formula: C13H10F2N2
SMILES:   Fc1cc(ccc1)\C=N\Nc1ccc(F)cc1
InChI:   InChI=1/C13H10F2N2/c14-11-4-6-13(7-5-11)17-16-9-10-2-1-3-12(15)8-10/h1-9,17H/b16-9+

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Potential Energy
Epot(MMFF94)=52.5753 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.233 g/mol  logS: -3.59687  SlogP: 3.4108  Reactive groups: 0
 
 Topological Properties
  Globularity: 4.42229e-07  Sterimol/B1: 2.09775  Sterimol/B2: 2.10271  Sterimol/B3: 3.25399
  Sterimol/B4: 4.94372  Sterimol/L: 14.7086 
 
 Surface and Volume Properties
  Accessible surface: 447.463  Positive charged surface: 220.039  Negative charged surface: 227.423  Volume: 215.25
  Hydrophobic surface: 406.187  Hydrophilic surface: 41.276
 
 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.