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SIAL-ZINC04530122

 MMsINC code: MMs03917433
Type: Neutral
Formula: C12H6Cl4O3S
SMILES:   Clc1cc(Cl)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1
InChI:   InChI=1/C12H6Cl4O3S/c13-7-1-3-9(4-2-7)20(17,18)19-12-10(15)5-8(14)6-11(12)16/h1-6H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=71.266 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.055 g/mol  logS: -6.41937  SlogP: 5.0679  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100824  Sterimol/B1: 3.36852  Sterimol/B2: 3.75519  Sterimol/B3: 4.09065
  Sterimol/B4: 5.75695  Sterimol/L: 13.087 
 
 Surface and Volume Properties
  Accessible surface: 479.772  Positive charged surface: 118.352  Negative charged surface: 361.42  Volume: 264.375
  Hydrophobic surface: 417.786  Hydrophilic surface: 61.986
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.