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


NCID-ZINC01596139

 MMsINC code: MMs02250252
Type: Neutral
Formula: C10H18O4
SMILES:   O(C(=O)CC)CC(COC(=O)CC)C
InChI:   InChI=1/C10H18O4/c1-4-9(11)13-6-8(3)7-14-10(12)5-2/h8H,4-7H2,1-3H3

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)=11.6156 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.25 g/mol  logS: -1.22868  SlogP: 1.5289  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0320574  Sterimol/B1: 2.61442  Sterimol/B2: 2.98413  Sterimol/B3: 3.1768
  Sterimol/B4: 4.23756  Sterimol/L: 16.9934 
 
 Surface and Volume Properties
  Accessible surface: 467.493  Positive charged surface: 339.087  Negative charged surface: 128.406  Volume: 211.625
  Hydrophobic surface: 335.421  Hydrophilic surface: 132.072
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.