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MAYBRIDGE-ZINC03170794

 MMsINC code: MMs02161958
Type: Neutral
Formula: C12H6Cl4O3S
SMILES:   Clc1cc(OS(=O)(=O)c2cc(Cl)c(Cl)cc2)ccc1Cl
InChI:   InChI=1/C12H6Cl4O3S/c13-9-3-1-7(5-11(9)15)19-20(17,18)8-2-4-10(14)12(16)6-8/h1-6H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=67.4139 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: 0.104169  Sterimol/B1: 3.414  Sterimol/B2: 3.73908  Sterimol/B3: 4.05398
  Sterimol/B4: 6.18848  Sterimol/L: 13.0948 
 
 Surface and Volume Properties
  Accessible surface: 485.269  Positive charged surface: 115.007  Negative charged surface: 370.261  Volume: 267.625
  Hydrophobic surface: 413.583  Hydrophilic surface: 71.686
 
 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.