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ENAMINE-ZINC03619162

 MMsINC code: MMs01525683
Type: Neutral
Formula: C24H24N2O4
SMILES:   O(C)c1ccccc1CNC(=O)COC(=O)c1c2CCCCc2nc2c1cccc2
InChI:   InChI=1/C24H24N2O4/c1-29-21-13-7-2-8-16(21)14-25-22(27)15-30-24(28)23-17-9-3-5-11-19(17)26-20-12-6-4-10-18(20)23/h2-3,5,7-9,11,13H,4,6,10,12,14-15H2,1H3,(H,25,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=95.3778 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 404.466 g/mol  logS: -5.43481  SlogP: 3.86174  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0303132  Sterimol/B1: 2.86638  Sterimol/B2: 3.47218  Sterimol/B3: 3.83075
  Sterimol/B4: 9.25457  Sterimol/L: 18.7748 
 
 Surface and Volume Properties
  Accessible surface: 719.481  Positive charged surface: 477.948  Negative charged surface: 235.862  Volume: 388.125
  Hydrophobic surface: 616.304  Hydrophilic surface: 103.177
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.