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


PUBCHEM-ZINC02000084

 MMsINC code: MMs02842407
Type: Neutral
Formula: C7H16O4
SMILES:   O(CC(OC)OC)CCOC
InChI:   InChI=1/C7H16O4/c1-8-4-5-11-6-7(9-2)10-3/h7H,4-6H2,1-3H3

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)=55.0254 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 164.201 g/mol  logS: -0.04183  SlogP: 0.2683  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.11976  Sterimol/B1: 2.44744  Sterimol/B2: 3.54569  Sterimol/B3: 3.76677
  Sterimol/B4: 5.32795  Sterimol/L: 12.058 
 
 Surface and Volume Properties
  Accessible surface: 406.473  Positive charged surface: 380.18  Negative charged surface: 26.293  Volume: 169.375
  Hydrophobic surface: 378.876  Hydrophilic surface: 27.597
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.