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CHEMBRIDGE-ZINC01227776

 MMsINC code: MMs00691420
Type: Neutral
Formula: C28H24N2O3
SMILES:   O(c1ccc(NC(=O)Cc2ccccc2)cc1)c1ccc(NC(=O)Cc2ccccc2)cc1
InChI:   InChI=1/C28H24N2O3/c31-27(19-21-7-3-1-4-8-21)29-23-11-15-25(16-12-23)33-26-17-13-24(14-18-26)30-28(32)20-22-9-5-2-6-10-22/h1-18H,19-20H2,(H,29,31)(H,30,32)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=143.497 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 436.511 g/mol  logS: -7.23051  SlogP: 5.84124  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0597324  Sterimol/B1: 2.57647  Sterimol/B2: 3.38117  Sterimol/B3: 5.33206
  Sterimol/B4: 10.2543  Sterimol/L: 18.2403 
 
 Surface and Volume Properties
  Accessible surface: 785.924  Positive charged surface: 473.779  Negative charged surface: 312.145  Volume: 430.125
  Hydrophobic surface: 709.599  Hydrophilic surface: 76.325
 
 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: 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.