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MAYBRIDGE-ZINC01034677

 MMsINC code: MMs02150919
Type: Neutral
Formula: C24H22N4O2
SMILES:   O(Cc1ccccc1)c1ccc(NC(=O)Nc2n(nc(c2)-c2ccccc2)C)cc1
InChI:   InChI=1/C24H22N4O2/c1-28-23(16-22(27-28)19-10-6-3-7-11-19)26-24(29)25-20-12-14-21(15-13-20)30-17-18-8-4-2-5-9-18/h2-16H,17H2,1H3,(H2,25,26,29)

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Potential Energy
Epot(MMFF94)=110.035 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 398.466 g/mol  logS: -6.10682  SlogP: 5.9357  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0174649  Sterimol/B1: 2.03173  Sterimol/B2: 3.27755  Sterimol/B3: 3.4974
  Sterimol/B4: 10.0257  Sterimol/L: 21.8422 
 
 Surface and Volume Properties
  Accessible surface: 719.672  Positive charged surface: 432.819  Negative charged surface: 286.853  Volume: 392.25
  Hydrophobic surface: 637.824  Hydrophilic surface: 81.848
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1
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Ions/Tautomers related molecules: no related molecules available.