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CHEMBLOCK-ZINC01510039

 MMsINC code: MMs00528388
Type: Neutral
Formula: C24H16N2O2
SMILES:   O=C1N(C(=O)c2c3c1ccc(Nc1ccccc1)c3ccc2)c1ccccc1
InChI:   InChI=1/C24H16N2O2/c27-23-19-13-7-12-18-21(25-16-8-3-1-4-9-16)15-14-20(22(18)19)24(28)26(23)17-10-5-2-6-11-17/h1-15,25H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=144.858 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.404 g/mol  logS: -7.25679  SlogP: 5.384  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.03264  Sterimol/B1: 2.65024  Sterimol/B2: 3.15697  Sterimol/B3: 3.29129
  Sterimol/B4: 8.00078  Sterimol/L: 18.3676 
 
 Surface and Volume Properties
  Accessible surface: 596.319  Positive charged surface: 312.781  Negative charged surface: 274.135  Volume: 345.75
  Hydrophobic surface: 529.216  Hydrophilic surface: 67.103
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0
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Ions/Tautomers related molecules: no related molecules available.