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ENAMINE-ZINC04925660

 MMsINC code: MMs01565135
Type: Neutral
Formula: C15H14F2N2
SMILES:   Fc1cc(ccc1F)\C=N\Nc1ccc(cc1C)C
InChI:   InChI=1/C15H14F2N2/c1-10-3-6-15(11(2)7-10)19-18-9-12-4-5-13(16)14(17)8-12/h3-9,19H,1-2H3/b18-9+

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Potential Energy
Epot(MMFF94)=66.7412 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.287 g/mol  logS: -4.23126  SlogP: 4.02764  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00624856  Sterimol/B1: 2.51212  Sterimol/B2: 2.51247  Sterimol/B3: 2.83478
  Sterimol/B4: 6.3188  Sterimol/L: 15.8419 
 
 Surface and Volume Properties
  Accessible surface: 499.777  Positive charged surface: 268.574  Negative charged surface: 231.203  Volume: 252.25
  Hydrophobic surface: 467.521  Hydrophilic surface: 32.256
 
 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.