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ENAMINE-ZINC04933251

 MMsINC code: MMs01566482
Type: Neutral
Formula: C13H10F2N2
SMILES:   Fc1ccc(cc1)\C=N\Nc1ccc(F)cc1
InChI:   InChI=1/C13H10F2N2/c14-11-3-1-10(2-4-11)9-16-17-13-7-5-12(15)6-8-13/h1-9,17H/b16-9+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=55.2647 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: 4.07117e-07  Sterimol/B1: 2.09987  Sterimol/B2: 2.10098  Sterimol/B3: 2.57307
  Sterimol/B4: 5.34473  Sterimol/L: 14.9526 
 
 Surface and Volume Properties
  Accessible surface: 447.113  Positive charged surface: 221.96  Negative charged surface: 225.152  Volume: 214.875
  Hydrophobic surface: 405.134  Hydrophilic surface: 41.979
 
 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.