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PUBCHEM-ZINC03118284

 MMsINC code: MMs02996095
Type: Neutral
Formula: C18H10Cl4O6S2
SMILES:   Clc1cc(OS(=O)(=O)c2cc(S(Oc3cc(Cl)cc(Cl)c3)(=O)=O)ccc2)cc(Cl)
c1
InChI:   InChI=1/C18H10Cl4O6S2/c19-11-4-12(20)7-15(6-11)27-29(23,24)17-2-1-3-18(10-17)30(25,26)28-16-8-13(21)5-14(22)9-16/h1-10H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=90.435 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 528.216 g/mol  logS: -8.5167  SlogP: 5.8356  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.154408  Sterimol/B1: 2.24386  Sterimol/B2: 5.09949  Sterimol/B3: 5.12412
  Sterimol/B4: 8.47274  Sterimol/L: 16.4627 
 
 Surface and Volume Properties
  Accessible surface: 621.291  Positive charged surface: 148.205  Negative charged surface: 473.085  Volume: 378.875
  Hydrophobic surface: 487.03  Hydrophilic surface: 134.261
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.