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


PUBCHEM-ZINC05456719

 MMsINC code: MMs03275017
Type: Neutral
Formula: C6H13Cl2O4P
SMILES:   ClC(Cl)P(OC(C)C)(OCCO)=O
InChI:   InChI=1/C6H13Cl2O4P/c1-5(2)12-13(10,6(7)8)11-4-3-9/h5-6,9H,3-4H2,1-2H3/t13-/m0/s1

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)=35.2151 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 251.046 g/mol  logS: -1.03031  SlogP: 1.7243  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.172048  Sterimol/B1: 2.89336  Sterimol/B2: 3.59831  Sterimol/B3: 4.9404
  Sterimol/B4: 6.26495  Sterimol/L: 11.4264 
 
 Surface and Volume Properties
  Accessible surface: 434.34  Positive charged surface: 229.112  Negative charged surface: 205.227  Volume: 202.75
  Hydrophobic surface: 194.454  Hydrophilic surface: 239.886
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.