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ENAMINE-ZINC03500165

 MMsINC code: MMs01476363
Type: Neutral
Formula: C19H22N2O6
SMILES:   O1CCN(CC1)C(=O)COC(=O)c1cc2c(cc1)C(=O)N(CCCC)C2=O
InChI:   InChI=1/C19H22N2O6/c1-2-3-6-21-17(23)14-5-4-13(11-15(14)18(21)24)19(25)27-12-16(22)20-7-9-26-10-8-20/h4-5,11H,2-3,6-10,12H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=68.9802 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.393 g/mol  logS: -3.71872  SlogP: 1.0983  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0216386  Sterimol/B1: 2.08912  Sterimol/B2: 3.48579  Sterimol/B3: 4.58778
  Sterimol/B4: 4.89514  Sterimol/L: 22.082 
 
 Surface and Volume Properties
  Accessible surface: 653.568  Positive charged surface: 453.849  Negative charged surface: 199.719  Volume: 344.25
  Hydrophobic surface: 465.46  Hydrophilic surface: 188.108
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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.