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NCID-ZINC01702833

 MMsINC code: MMs02332052
Type: Neutral
Formula: C15H10Cl6O6S2
SMILES:   Clc1c(Cc2c(OS(=O)(=O)C)c(Cl)cc(Cl)c2Cl)c(OS(=O)(=O)C)c(Cl)cc
1Cl
InChI:   InChI=1/C15H10Cl6O6S2/c1-28(22,23)26-14-6(12(20)8(16)4-10(14)18)3-7-13(21)9(17)5-11(19)15(7)27-29(2,24)25/h4-5H,3H2,1-2H3

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Potential Energy
Epot(MMFF94)=186.871 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 563.089 g/mol  logS: -8.14049  SlogP: 5.87457  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.192308  Sterimol/B1: 2.79008  Sterimol/B2: 5.33514  Sterimol/B3: 5.66107
  Sterimol/B4: 6.74743  Sterimol/L: 13.7735 
 
 Surface and Volume Properties
  Accessible surface: 598.243  Positive charged surface: 156.885  Negative charged surface: 441.358  Volume: 374.375
  Hydrophobic surface: 489.929  Hydrophilic surface: 108.314
 
 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.