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CHEMBRIDGE-ZINC02948238

 MMsINC code: MMs00743067
Type: Neutral
Formula: C23H24N2O5
SMILES:   O(CCOc1ccc(cc1)C(C)(C)C)c1cc(ccc1)C=C1C(=O)NC(=O)NC1=O
InChI:   InChI=1/C23H24N2O5/c1-23(2,3)16-7-9-17(10-8-16)29-11-12-30-18-6-4-5-15(13-18)14-19-20(26)24-22(28)25-21(19)27/h4-10,13-14H,11-12H2,1-3H3,(H2,24,25,26,27,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=79.8442 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.454 g/mol  logS: -6.72578  SlogP: 3.1913  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0325803  Sterimol/B1: 2.73017  Sterimol/B2: 4.79244  Sterimol/B3: 4.80319
  Sterimol/B4: 4.9554  Sterimol/L: 22.4486 
 
 Surface and Volume Properties
  Accessible surface: 701.46  Positive charged surface: 440.037  Negative charged surface: 261.424  Volume: 385.375
  Hydrophobic surface: 458.545  Hydrophilic surface: 242.915
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.