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ENAMINE-ZINC03272708

 MMsINC code: MMs01343479
Type: Neutral
Formula: C24H30N2O4
SMILES:   O=C1Nc2c(cccc2)C(=C1)C(OCC(=O)N(C1CCCCC1)C1CCCCC1)=O
InChI:   InChI=1/C24H30N2O4/c27-22-15-20(19-13-7-8-14-21(19)25-22)24(29)30-16-23(28)26(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h7-8,13-15,17-18H,1-6,9-12,16H2,(H,25,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=131.131 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 410.514 g/mol  logS: -5.64181  SlogP: 4.0593  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0819836  Sterimol/B1: 3.48597  Sterimol/B2: 3.7524  Sterimol/B3: 3.87921
  Sterimol/B4: 9.56221  Sterimol/L: 15.4556 
 
 Surface and Volume Properties
  Accessible surface: 666.971  Positive charged surface: 444.572  Negative charged surface: 222.399  Volume: 400.75
  Hydrophobic surface: 555.011  Hydrophilic surface: 111.96
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.