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


PUBCHEM-ZINC05998391

 MMsINC code: MMs03482433
Type: Neutral
Formula: C9H9Cl4O4P
SMILES:   Clc1cc(Cl)c(Cl)cc1OP(OCCCl)(OC)=O
InChI:   InChI=1/C9H9Cl4O4P/c1-15-18(14,16-3-2-10)17-9-5-7(12)6(11)4-8(9)13/h4-5H,2-3H2,1H3/t18-/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)=25.6156 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 353.953 g/mol  logS: -4.53617  SlogP: 3.9653  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.117606  Sterimol/B1: 2.80002  Sterimol/B2: 2.84878  Sterimol/B3: 4.51522
  Sterimol/B4: 7.73127  Sterimol/L: 12.5854 
 
 Surface and Volume Properties
  Accessible surface: 489.219  Positive charged surface: 203.297  Negative charged surface: 285.922  Volume: 258.375
  Hydrophobic surface: 400.117  Hydrophilic surface: 89.102
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.