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PUBCHEM-ZINC06311284

 MMsINC code: MMs03669861
Type: Neutral
Formula: C14H21NO4
SMILES:   O=C1N(CC(OCCC)=O)C(=O)CC2(C1)CCCC2
InChI:   InChI=1/C14H21NO4/c1-2-7-19-13(18)10-15-11(16)8-14(9-12(15)17)5-3-4-6-14/h2-10H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=30.3042 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.325 g/mol  logS: -3.05487  SlogP: 1.649  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0754372  Sterimol/B1: 3.28385  Sterimol/B2: 3.87438  Sterimol/B3: 4.01907
  Sterimol/B4: 5.41171  Sterimol/L: 15.6841 
 
 Surface and Volume Properties
  Accessible surface: 499.598  Positive charged surface: 359.283  Negative charged surface: 140.314  Volume: 259.25
  Hydrophobic surface: 378.889  Hydrophilic surface: 120.709
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.