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


PUBCHEM-ZINC03628536

MMsINC code: MMs03026684

Type: Neutral
Formula: C11H14Cl3O3P
SMILES:   ClC(Cl)(Cl)c1ccccc1P(OCC)(OCC)=O
InChI:   InChI=1/C11H14Cl3O3P/c1-3-16-18(15,17-4-2)10-8-6-5-7-9(10)11(12,13)14/h5-8H,3-4H2,1-2H3

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)=83.7665 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 331.563 g/mol  logS: -4.47098  SlogP: 3.646  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.18765  Sterimol/B1: 2.253  Sterimol/B2: 2.47966  Sterimol/B3: 6.37036
  Sterimol/B4: 7.85862  Sterimol/L: 12.1694 
 
 Surface and Volume Properties
  Accessible surface: 495.411  Positive charged surface: 239.447  Negative charged surface: 255.965  Volume: 265.75
  Hydrophobic surface: 307.618  Hydrophilic surface: 187.793
 
 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.