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PUBCHEM-ZINC02894398

 MMsINC code: MMs02955532
Type: Neutral
Formula: C32H24N2O4
SMILES:   O(C(=O)c1ccc(cc1)C(Oc1ccc(Nc2ccccc2)cc1)=O)c1ccc(Nc2ccccc2)c
c1
InChI:   InChI=1/C32H24N2O4/c35-31(37-29-19-15-27(16-20-29)33-25-7-3-1-4-8-25)23-11-13-24(14-12-23)32(36)38-30-21-17-28(18-22-30)34-26-9-5-2-6-10-26/h1-22,33-34H

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=187.707 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 500.554 g/mol  logS: -8.85364  SlogP: 7.6122  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0229093  Sterimol/B1: 2.86034  Sterimol/B2: 3.52957  Sterimol/B3: 5.22624
  Sterimol/B4: 7.12914  Sterimol/L: 28.7518 
 
 Surface and Volume Properties
  Accessible surface: 864.738  Positive charged surface: 474.667  Negative charged surface: 390.07  Volume: 483.5
  Hydrophobic surface: 765.278  Hydrophilic surface: 99.46
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.