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


PUBCHEM-ZINC05355845

 MMsINC code: MMs03246934
Type: Neutral
Formula: C7H15ClO3
SMILES:   ClCCOCCOCCOC
InChI:   InChI=1/C7H15ClO3/c1-9-4-5-11-7-6-10-3-2-8/h2-7H2,1H3

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)=37.0248 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 182.647 g/mol  logS: -0.78374  SlogP: 0.9048  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0971843  Sterimol/B1: 2.35023  Sterimol/B2: 2.60392  Sterimol/B3: 4.71901
  Sterimol/B4: 5.47731  Sterimol/L: 13.006 
 
 Surface and Volume Properties
  Accessible surface: 432.587  Positive charged surface: 347.43  Negative charged surface: 85.1568  Volume: 178
  Hydrophobic surface: 347.43  Hydrophilic surface: 85.157
 
 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.