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


PUBCHEM-ZINC06169873

 MMsINC code: MMs03578194
Type: Neutral
Formula: C10H12Cl3O6PS
SMILES:   ClC(Cl)(Cl)C(P(OC)(OC)=O)OS(=O)(=O)c1ccccc1
InChI:   InChI=1/C10H12Cl3O6PS/c1-17-20(14,18-2)9(10(11,12)13)19-21(15,16)8-6-4-3-5-7-8/h3-7,9H,1-2H3/t9-/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)=43.7149 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 397.599 g/mol  logS: -4.08946  SlogP: 2.9238  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0809218  Sterimol/B1: 3.30074  Sterimol/B2: 4.08965  Sterimol/B3: 5.09728
  Sterimol/B4: 5.96474  Sterimol/L: 14.6322 
 
 Surface and Volume Properties
  Accessible surface: 534.295  Positive charged surface: 243.509  Negative charged surface: 290.786  Volume: 288
  Hydrophobic surface: 331.633  Hydrophilic surface: 202.662
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  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.