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ENAMINE-ZINC04925306

 MMsINC code: MMs01565035
Type: Neutral
Formula: C16H14F2N2
SMILES:   Fc1cc(F)ccc1N\N=C\C(=C/c1ccccc1)\C
InChI:   InChI=1/C16H14F2N2/c1-12(9-13-5-3-2-4-6-13)11-19-20-16-8-7-14(17)10-15(16)18/h2-11,20H,1H3/b12-9+,19-11+

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Potential Energy
Epot(MMFF94)=85.1628 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.298 g/mol  logS: -4.11964  SlogP: 4.466  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0141181  Sterimol/B1: 2.27028  Sterimol/B2: 3.06413  Sterimol/B3: 3.23515
  Sterimol/B4: 4.84477  Sterimol/L: 17.0889 
 
 Surface and Volume Properties
  Accessible surface: 509.24  Positive charged surface: 268.651  Negative charged surface: 240.59  Volume: 260.375
  Hydrophobic surface: 468.507  Hydrophilic surface: 40.733
 
 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.