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ENAMINE-ZINC05428416

 MMsINC code: MMs01611896
Type: Neutral
Formula: C24H18N4O
SMILES:   O=C1N(C=Nc2n(ncc12)-c1ccccc1)Cc1ccc(cc1)-c1ccccc1
InChI:   InChI=1/C24H18N4O/c29-24-22-15-26-28(21-9-5-2-6-10-21)23(22)25-17-27(24)16-18-11-13-20(14-12-18)19-7-3-1-4-8-19/h1-15,17H,16H2

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Potential Energy
Epot(MMFF94)=108.053 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 378.435 g/mol  logS: -6.64119  SlogP: 5.1215  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0816613  Sterimol/B1: 2.94596  Sterimol/B2: 3.22361  Sterimol/B3: 5.53039
  Sterimol/B4: 6.99407  Sterimol/L: 19.4293 
 
 Surface and Volume Properties
  Accessible surface: 649.946  Positive charged surface: 345.581  Negative charged surface: 293.294  Volume: 368.625
  Hydrophobic surface: 573.193  Hydrophilic surface: 76.753
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.