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ENAMINE-ZINC04920932

 MMsINC code: MMs01564289
Type: Neutral
Formula: C14H12F2N2
SMILES:   Fc1cc(ccc1F)\C=N\Nc1ccc(cc1)C
InChI:   InChI=1/C14H12F2N2/c1-10-2-5-12(6-3-10)18-17-9-11-4-7-13(15)14(16)8-11/h2-9,18H,1H3/b17-9+

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Potential Energy
Epot(MMFF94)=60.1322 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 246.26 g/mol  logS: -4.07079  SlogP: 3.71922  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0032811  Sterimol/B1: 2.10385  Sterimol/B2: 2.51223  Sterimol/B3: 3.48921
  Sterimol/B4: 5.23215  Sterimol/L: 15.7742 
 
 Surface and Volume Properties
  Accessible surface: 477.787  Positive charged surface: 249.401  Negative charged surface: 228.385  Volume: 232.25
  Hydrophobic surface: 435.892  Hydrophilic surface: 41.895
 
 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.