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ENAMINE-ZINC04219187

 MMsINC code: MMs01536321
Type: Neutral
Formula: C10H16N2O4
SMILES:   O=C1N(CCC(OCC)=O)C(=O)CN(C1)C
InChI:   InChI=1/C10H16N2O4/c1-3-16-10(15)4-5-12-8(13)6-11(2)7-9(12)14/h3-7H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=38.6341 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.248 g/mol  logS: -0.70846  SlogP: -0.7598  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0715448  Sterimol/B1: 2.17259  Sterimol/B2: 3.90376  Sterimol/B3: 4.01003
  Sterimol/B4: 4.4687  Sterimol/L: 15.5067 
 
 Surface and Volume Properties
  Accessible surface: 455.789  Positive charged surface: 341.824  Negative charged surface: 113.965  Volume: 212.625
  Hydrophobic surface: 318.95  Hydrophilic surface: 136.839
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.