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ENAMINE-ZINC05161955

 MMsINC code: MMs01593697
Type: Neutral
Formula: C15H14F2N2
SMILES:   Fc1cc(F)ccc1N\N=C(\C)/c1ccc(cc1)C
InChI:   InChI=1/C15H14F2N2/c1-10-3-5-12(6-4-10)11(2)18-19-15-8-7-13(16)9-14(15)17/h3-9,19H,1-2H3/b18-11+

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Potential Energy
Epot(MMFF94)=73.7118 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.287 g/mol  logS: -4.37695  SlogP: 4.10932  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00650746  Sterimol/B1: 2.10286  Sterimol/B2: 2.51394  Sterimol/B3: 3.25419
  Sterimol/B4: 5.90316  Sterimol/L: 15.7518 
 
 Surface and Volume Properties
  Accessible surface: 495.164  Positive charged surface: 253.319  Negative charged surface: 241.845  Volume: 248.5
  Hydrophobic surface: 475.653  Hydrophilic surface: 19.511
 
 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.