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CHEMBRIDGE-ZINC01103472

 MMsINC code: MMs00660531
Type: Neutral
Formula: C24H18N4O3
SMILES:   O(c1ccc(NC(=O)c2cccnc2)cc1)c1ccc(NC(=O)c2cccnc2)cc1
InChI:   InChI=1/C24H18N4O3/c29-23(17-3-1-13-25-15-17)27-19-5-9-21(10-6-19)31-22-11-7-20(8-12-22)28-24(30)18-4-2-14-26-16-18/h1-16H,(H,27,29)(H,28,30)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=141.49 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 410.433 g/mol  logS: -4.59129  SlogP: 4.7735  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0286378  Sterimol/B1: 2.41247  Sterimol/B2: 3.08703  Sterimol/B3: 4.49198
  Sterimol/B4: 7.41545  Sterimol/L: 23.1995 
 
 Surface and Volume Properties
  Accessible surface: 700.29  Positive charged surface: 439.228  Negative charged surface: 261.062  Volume: 381.625
  Hydrophobic surface: 592.255  Hydrophilic surface: 108.035
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.