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


PUBCHEM-ZINC02023919

 MMsINC code: MMs02857452
Type: Neutral
Formula: C8H16O3
SMILES:   O(CCOCC)CCOC=C
InChI:   InChI=1/C8H16O3/c1-3-9-5-7-11-8-6-10-4-2/h3H,1,4-8H2,2H3

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)=34.1594 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 160.213 g/mol  logS: -0.48687  SlogP: 1.1996  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.111436  Sterimol/B1: 2.31835  Sterimol/B2: 2.47575  Sterimol/B3: 4.29364
  Sterimol/B4: 5.39835  Sterimol/L: 13.0748 
 
 Surface and Volume Properties
  Accessible surface: 434.922  Positive charged surface: 336.631  Negative charged surface: 98.2916  Volume: 176.625
  Hydrophobic surface: 356.04  Hydrophilic surface: 78.882
 
 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.