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


PUBCHEM-ZINC05840468

 MMsINC code: MMs03410507
Type: Neutral
Formula: C5H10Cl3O2P
SMILES:   ClC(Cl)(Cl)P(OCC)(=O)CC
InChI:   InChI=1/C5H10Cl3O2P/c1-3-10-11(9,4-2)5(6,7)8/h3-4H2,1-2H3/t11-/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)=29.6988 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 239.466 g/mol  logS: -2.47496  SlogP: 2.9983  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.158138  Sterimol/B1: 2.81413  Sterimol/B2: 3.65534  Sterimol/B3: 3.96332
  Sterimol/B4: 6.11379  Sterimol/L: 10.1386 
 
 Surface and Volume Properties
  Accessible surface: 391.217  Positive charged surface: 163.432  Negative charged surface: 227.785  Volume: 184.875
  Hydrophobic surface: 168.292  Hydrophilic surface: 222.925
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.