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PUBCHEM-ZINC06090871

 MMsINC code: MMs03536827
Type: Neutral
Formula: C6HCl5O4S
SMILES:   Clc1c(OS(O)(=O)=O)c(Cl)c(Cl)c(Cl)c1Cl
InChI:   InChI=1/C6HCl5O4S/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h(H,12,13,14)

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Potential Energy
Epot(MMFF94)=35.7541 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 346.401 g/mol  logS: -5.23918  SlogP: 3.5695  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0832395  Sterimol/B1: 2.28177  Sterimol/B2: 3.60068  Sterimol/B3: 4.74683
  Sterimol/B4: 5.12224  Sterimol/L: 11.6435 
 
 Surface and Volume Properties
  Accessible surface: 411.846  Positive charged surface: 67.4569  Negative charged surface: 344.389  Volume: 207.25
  Hydrophobic surface: 295.958  Hydrophilic surface: 115.888
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs03536828
PUBCHEM-ZINC06090871