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ENAMINE-ZINC04925113

 MMsINC code: MMs01565002
Type: Neutral
Formula: C20H14F4N4
SMILES:   Fc1cc(F)ccc1N\N=C\c1cc(ccc1)\C=N\Nc1ccc(F)cc1F
InChI:   InChI=1/C20H14F4N4/c21-15-4-6-19(17(23)9-15)27-25-11-13-2-1-3-14(8-13)12-26-28-20-7-5-16(22)10-18(20)24/h1-12,27-28H/b25-11+,26-12+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=97.0341 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.352 g/mol  logS: -5.80886  SlogP: 5.135  Reactive groups: 0
 
 Topological Properties
  Globularity: 2.63353e-07  Sterimol/B1: 2.10155  Sterimol/B2: 2.10219  Sterimol/B3: 2.56518
  Sterimol/B4: 5.6902  Sterimol/L: 22.1719 
 
 Surface and Volume Properties
  Accessible surface: 644.702  Positive charged surface: 317.982  Negative charged surface: 326.721  Volume: 335.625
  Hydrophobic surface: 563.667  Hydrophilic surface: 81.035
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.