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PUBCHEM-ZINC04118986

 MMsINC code: MMs03092807
Type: Neutral
Formula: C26H20N4
SMILES:   n1nn(c2c1cccc2)C(Nc1ccccc1)=C(c1ccccc1)c1ccccc1
InChI:   InChI=1/C26H20N4/c1-4-12-20(13-5-1)25(21-14-6-2-7-15-21)26(27-22-16-8-3-9-17-22)30-24-19-11-10-18-23(24)28-29-30/h1-19,27H

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Potential Energy
Epot(MMFF94)=156.243 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.474 g/mol  logS: -6.81419  SlogP: 5.73479  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.184911  Sterimol/B1: 2.38664  Sterimol/B2: 3.74217  Sterimol/B3: 4.50646
  Sterimol/B4: 9.67516  Sterimol/L: 12.7873 
 
 Surface and Volume Properties
  Accessible surface: 637.549  Positive charged surface: 358.567  Negative charged surface: 278.982  Volume: 390.75
  Hydrophobic surface: 593.663  Hydrophilic surface: 43.886
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0
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Ions/Tautomers related molecules: no related molecules available.