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


NCID-ZINC01688027

 MMsINC code: MMs02320645
Type: Neutral
Formula: C11H19NO4
SMILES:   O1CCN(CC1)C(=O)CCC(OC(C)C)=O
InChI:   InChI=1/C11H19NO4/c1-9(2)16-11(14)4-3-10(13)12-5-7-15-8-6-12/h9H,3-8H2,1-2H3

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)=33.0895 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 229.276 g/mol  logS: -0.77503  SlogP: 0.577  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0506023  Sterimol/B1: 2.33931  Sterimol/B2: 3.0378  Sterimol/B3: 4.42271
  Sterimol/B4: 4.87304  Sterimol/L: 15.4806 
 
 Surface and Volume Properties
  Accessible surface: 477.61  Positive charged surface: 368.626  Negative charged surface: 108.984  Volume: 225.75
  Hydrophobic surface: 355.23  Hydrophilic surface: 122.38
 
 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.