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PUBCHEM-ZINC06892147

 MMsINC code: MMs03893023
Type: Neutral
Formula: C11H19NO4
SMILES:   O(CC(=O)N1CCC(CC1)C(OC)=O)CC
InChI:   InChI=1/C11H19NO4/c1-3-16-8-10(13)12-6-4-9(5-7-12)11(14)15-2/h9H,3-8H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=36.0877 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 229.276 g/mol  logS: -0.844  SlogP: 0.4345  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0568362  Sterimol/B1: 2.55178  Sterimol/B2: 3.27113  Sterimol/B3: 4.36809
  Sterimol/B4: 4.81429  Sterimol/L: 16.1146 
 
 Surface and Volume Properties
  Accessible surface: 475.434  Positive charged surface: 381.526  Negative charged surface: 93.9082  Volume: 226.5
  Hydrophobic surface: 375.455  Hydrophilic surface: 99.979
 
 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.