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


PUBCHEM-ZINC05862338

 MMsINC code: MMs03422413
Type: Neutral
Formula: C10H12Cl3O3P
SMILES:   Clc1cc(Cl)c(Cl)cc1OP(OCC)(=O)CC
InChI:   InChI=1/C10H12Cl3O3P/c1-3-15-17(14,4-2)16-10-6-8(12)7(11)5-9(10)13/h5-6H,3-4H2,1-2H3/t17-/m1/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)=33.7779 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 317.536 g/mol  logS: -4.17075  SlogP: 4.2049  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0819758  Sterimol/B1: 3.17921  Sterimol/B2: 3.79184  Sterimol/B3: 4.13603
  Sterimol/B4: 6.64152  Sterimol/L: 14.1432 
 
 Surface and Volume Properties
  Accessible surface: 491.537  Positive charged surface: 219.327  Negative charged surface: 272.21  Volume: 250
  Hydrophobic surface: 420.386  Hydrophilic surface: 71.151
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.