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IBS-ZINC05450731

 MMsINC code: MMs01947470
Type: Ionized
Formula: C8H8O7S2-2
SMILES:   S(=O)(=O)([O-])c1cc(S(=O)(=O)[O-])c(OC)cc1C
InChI:   InChI=1/C8H10O7S2/c1-5-3-6(15-2)8(17(12,13)14)4-7(5)16(9,10)11/h3-4H,1-2H3,(H,9,10,11)(H,12,13,14)/p-2

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Potential Energy
Epot(MMFF94)=61.8204 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 280.277 g/mol  logS: -1.83891  SlogP: -0.18818  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0639979  Sterimol/B1: 2.43414  Sterimol/B2: 3.05972  Sterimol/B3: 3.11709
  Sterimol/B4: 7.59319  Sterimol/L: 11.2248 
 
 Surface and Volume Properties
  Accessible surface: 415.134  Positive charged surface: 158.578  Negative charged surface: 256.556  Volume: 202.25
  Hydrophobic surface: 200.396  Hydrophilic surface: 214.738
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 6  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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Parent related molecule:


MMs01947469
IBS-ZINC05450731