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


PUBCHEM-ZINC05113650

 MMsINC code: MMs03201849
Type: Neutral
Formula: C8H17ClO4
SMILES:   ClCCOCCOCCOCCO
InChI:   InChI=1/C8H17ClO4/c9-1-3-11-5-7-13-8-6-12-4-2-10/h10H,1-8H2

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)=46.6428 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 212.673 g/mol  logS: -0.5812  SlogP: 0.2673  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.118069  Sterimol/B1: 2.37132  Sterimol/B2: 2.98677  Sterimol/B3: 4.31408
  Sterimol/B4: 5.51368  Sterimol/L: 14.0055 
 
 Surface and Volume Properties
  Accessible surface: 485.196  Positive charged surface: 385.145  Negative charged surface: 100.051  Volume: 202.375
  Hydrophobic surface: 352.294  Hydrophilic surface: 132.902
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.