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ENAMINE-ZINC05017696

 MMsINC code: MMs01575321
Type: Neutral
Formula: C24H24N2O5
SMILES:   O(C(=O)c1ccccc1NC(=O)Cc1c2c(ccc1)cccc2)CC(=O)NCCOC
InChI:   InChI=1/C24H24N2O5/c1-30-14-13-25-23(28)16-31-24(29)20-11-4-5-12-21(20)26-22(27)15-18-9-6-8-17-7-2-3-10-19(17)18/h2-12H,13-16H2,1H3,(H,25,28)(H,26,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=119.187 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 420.465 g/mol  logS: -5.99116  SlogP: 2.94037  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0482931  Sterimol/B1: 2.47115  Sterimol/B2: 3.94751  Sterimol/B3: 4.29565
  Sterimol/B4: 10.1795  Sterimol/L: 20.6851 
 
 Surface and Volume Properties
  Accessible surface: 746.017  Positive charged surface: 499.737  Negative charged surface: 238.277  Volume: 401.75
  Hydrophobic surface: 636.775  Hydrophilic surface: 109.242
 
 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.