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ENAMINE-ZINC03565111

 MMsINC code: MMs01511008
Type: Neutral
Formula: C24H24N2O5
SMILES:   O=C1N(Cc2cc(ccc2)C(OCC(=O)NC2CCCCC2)=O)C(=O)c2c1cccc2
InChI:   InChI=1/C24H24N2O5/c27-21(25-18-9-2-1-3-10-18)15-31-24(30)17-8-6-7-16(13-17)14-26-22(28)19-11-4-5-12-20(19)23(26)29/h4-8,11-13,18H,1-3,9-10,14-15H2,(H,25,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=64.5081 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 420.465 g/mol  logS: -5.72807  SlogP: 3.3549  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0391417  Sterimol/B1: 2.51854  Sterimol/B2: 3.2833  Sterimol/B3: 4.39013
  Sterimol/B4: 7.90603  Sterimol/L: 21.6866 
 
 Surface and Volume Properties
  Accessible surface: 732.156  Positive charged surface: 461.608  Negative charged surface: 270.548  Volume: 394.625
  Hydrophobic surface: 572.418  Hydrophilic surface: 159.738
 
 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.