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IBS-ZINC05450731

 MMsINC code: MMs01947469
Type: Neutral
Formula: C8H10O7S2
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)

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Potential Energy
Epot(MMFF94)=30.6908 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.293 g/mol  logS: -1.69587  SlogP: -0.63438  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0622541  Sterimol/B1: 2.32224  Sterimol/B2: 3.17519  Sterimol/B3: 3.42412
  Sterimol/B4: 7.92055  Sterimol/L: 11.2982 
 
 Surface and Volume Properties
  Accessible surface: 427.434  Positive charged surface: 215.689  Negative charged surface: 211.745  Volume: 202.75
  Hydrophobic surface: 201.052  Hydrophilic surface: 226.382
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  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


MMs01947470
IBS-ZINC05450731