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ASINEX-ZINC02779352

 MMsINC code: MMs00277953
Type: Neutral
Formula: C24H20N4O2
SMILES:   O=C(Nc1cc(ccc1)C)c1cnn(c1NC(=O)c1ccccc1)-c1ccccc1
InChI:   InChI=1/C24H20N4O2/c1-17-9-8-12-19(15-17)26-24(30)21-16-25-28(20-13-6-3-7-14-20)22(21)27-23(29)18-10-4-2-5-11-18/h2-16H,1H3,(H,26,30)(H,27,29)

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Potential Energy
Epot(MMFF94)=143.844 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.45 g/mol  logS: -6.26395  SlogP: 4.68532  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0565772  Sterimol/B1: 2.6318  Sterimol/B2: 4.48337  Sterimol/B3: 5.05499
  Sterimol/B4: 7.67018  Sterimol/L: 18.0293 
 
 Surface and Volume Properties
  Accessible surface: 680.29  Positive charged surface: 386.605  Negative charged surface: 293.685  Volume: 383.625
  Hydrophobic surface: 614.141  Hydrophilic surface: 66.149
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.