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PUBCHEM-ZINC05669874

 MMsINC code: MMs03341468
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-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=51.4931 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: 0.216223  Sterimol/B1: 2.57508  Sterimol/B2: 3.54381  Sterimol/B3: 4.0988
  Sterimol/B4: 8.11092  Sterimol/L: 11.2264 
 
 Surface and Volume Properties
  Accessible surface: 502.766  Positive charged surface: 223.877  Negative charged surface: 278.889  Volume: 287.375
  Hydrophobic surface: 284.223  Hydrophilic surface: 218.543
 
 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
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Ions/Tautomers related molecules: no related molecules available.