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ENAMINE-ZINC03492805

 MMsINC code: MMs01472207
Type: Neutral
Formula: C18H24N2O4
SMILES:   O(CC(=O)NC(CC)CC)C(=O)/C(/NC(=O)C)=C\c1ccccc1
InChI:   InChI=1/C18H24N2O4/c1-4-15(5-2)20-17(22)12-24-18(23)16(19-13(3)21)11-14-9-7-6-8-10-14/h6-11,15H,4-5,12H2,1-3H3,(H,19,21)(H,20,22)/b16-11-

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Potential Energy
Epot(MMFF94)=100.408 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 332.4 g/mol  logS: -3.74844  SlogP: 2.0116  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0386786  Sterimol/B1: 2.37716  Sterimol/B2: 2.66923  Sterimol/B3: 4.8333
  Sterimol/B4: 6.46569  Sterimol/L: 18.1875 
 
 Surface and Volume Properties
  Accessible surface: 614.675  Positive charged surface: 391.657  Negative charged surface: 223.018  Volume: 331.875
  Hydrophobic surface: 481.073  Hydrophilic surface: 133.602
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.