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AURORAFEINCHEMIE-ZINC04352864

 MMsINC code: MMs00469563
Type: Neutral
Formula: C28H24N2O4
SMILES:   Oc1ccccc1C(NC(=O)c1ccccc1)C(NC(=O)c1ccccc1)c1ccccc1O
InChI:   InChI=1/C28H24N2O4/c31-23-17-9-7-15-21(23)25(29-27(33)19-11-3-1-4-12-19)26(22-16-8-10-18-24(22)32)30-28(34)20-13-5-2-6-14-20/h1-18,25-26,31-32H,(H,29,33)(H,30,34)/t25-,26-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=120.797 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 452.51 g/mol  logS: -6.28338  SlogP: 4.9312  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.551373  Sterimol/B1: 2.59766  Sterimol/B2: 5.02476  Sterimol/B3: 8.18799
  Sterimol/B4: 9.07093  Sterimol/L: 16.122 
 
 Surface and Volume Properties
  Accessible surface: 720.004  Positive charged surface: 380.875  Negative charged surface: 339.13  Volume: 438.25
  Hydrophobic surface: 604.786  Hydrophilic surface: 115.218
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.