logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


PUBCHEM-ZINC02004069

 MMsINC code: MMs02845129
Type: Neutral
Formula: C7H13NO3
SMILES:   O1CCN(CC1)COC(=O)C
InChI:   InChI=1/C7H13NO3/c1-7(9)11-6-8-2-4-10-5-3-8/h2-6H2,1H3

Download   format file 
Similarity to PDB ligands  
This browser does not support Java Applets.
Get the latest Java Plug-in here.
download 2D Mol File



download 3D Mol File

Potential Energy
Epot(MMFF94)=26.4911 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 159.185 g/mol  logS: 0.09906  SlogP: -0.1608  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.183325  Sterimol/B1: 2.85845  Sterimol/B2: 3.54316  Sterimol/B3: 4.01503
  Sterimol/B4: 4.23466  Sterimol/L: 10.8182 
 
 Surface and Volume Properties
  Accessible surface: 359.932  Positive charged surface: 288.816  Negative charged surface: 71.1159  Volume: 155.125
  Hydrophobic surface: 295.172  Hydrophilic surface: 64.76
 
 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
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.