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CHEMBRIDGE-ZINC01141832

 MMsINC code: MMs00670147
Type: Neutral
Formula: C24H24N2O4
SMILES:   O(C)c1cc(ccc1OC)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1
InChI:   InChI=1/C24H24N2O4/c1-29-21-13-12-18(16-22(21)30-2)23(27)26-20-11-7-6-10-19(20)24(28)25-15-14-17-8-4-3-5-9-17/h3-13,16H,14-15H2,1-2H3,(H,25,28)(H,26,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=125.467 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 404.466 g/mol  logS: -5.43113  SlogP: 3.92857  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0445136  Sterimol/B1: 2.39013  Sterimol/B2: 2.58255  Sterimol/B3: 4.80092
  Sterimol/B4: 12.2747  Sterimol/L: 18.8945 
 
 Surface and Volume Properties
  Accessible surface: 721.874  Positive charged surface: 480.88  Negative charged surface: 240.994  Volume: 395.125
  Hydrophobic surface: 643.798  Hydrophilic surface: 78.076
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.