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CHEMBRIDGE-ZINC00639656

 MMsINC code: MMs00637408
Type: Neutral
Formula: C27H24N4O2
SMILES:   O=C(Nc1ccc(cc1)Cc1ccc(NC(=O)Nc2ccccc2)cc1)Nc1ccccc1
InChI:   InChI=1/C27H24N4O2/c32-26(28-22-7-3-1-4-8-22)30-24-15-11-20(12-16-24)19-21-13-17-25(18-14-21)31-27(33)29-23-9-5-2-6-10-23/h1-18H,19H2,(H2,28,30,32)(H2,29,31,33)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=109.87 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 436.515 g/mol  logS: -7.2356  SlogP: 6.56537  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0353331  Sterimol/B1: 3.6369  Sterimol/B2: 3.97834  Sterimol/B3: 5.38648
  Sterimol/B4: 5.50562  Sterimol/L: 25.5142 
 
 Surface and Volume Properties
  Accessible surface: 769.158  Positive charged surface: 459.185  Negative charged surface: 309.973  Volume: 430.125
  Hydrophobic surface: 648.877  Hydrophilic surface: 120.281
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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: 1
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Ions/Tautomers related molecules: no related molecules available.