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


IFLAB-ZINC03881205

 MMsINC code: MMs02006234
Type: Neutral
Formula: C11H19NO4
SMILES:   O(C(=O)C(N1CCCCC1)CC(OC)=O)C
InChI:   InChI=1/C11H19NO4/c1-15-10(13)8-9(11(14)16-2)12-6-4-3-5-7-12/h9H,3-8H2,1-2H3/t9-/m1/s1

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)=54.7713 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 229.276 g/mol  logS: -0.94084  SlogP: 0.577  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.179962  Sterimol/B1: 3.51161  Sterimol/B2: 3.8105  Sterimol/B3: 5.68818
  Sterimol/B4: 5.89069  Sterimol/L: 12.2058 
 
 Surface and Volume Properties
  Accessible surface: 453.88  Positive charged surface: 379.603  Negative charged surface: 74.2763  Volume: 223.25
  Hydrophobic surface: 400.463  Hydrophilic surface: 53.417
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs02006235
IFLAB-ZINC03881205