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ASINEX-ZINC01700194

 MMsINC code: MMs00255814
Type: Ionized
Formula: C6H4O7S2-2
SMILES:   S(=O)(=O)([O-])c1cc(S(=O)(=O)[O-])ccc1O
InChI:   InChI=1/C6H6O7S2/c7-5-2-1-4(14(8,9)10)3-6(5)15(11,12)13/h1-3,7H,(H,8,9,10)(H,11,12,13)/p-2

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Potential Energy
Epot(MMFF94)=25.728 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 252.223 g/mol  logS: -1.26611  SlogP: -0.7996  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0624942  Sterimol/B1: 3.05789  Sterimol/B2: 3.15401  Sterimol/B3: 3.18117
  Sterimol/B4: 5.31839  Sterimol/L: 10.8687 
 
 Surface and Volume Properties
  Accessible surface: 361.39  Positive charged surface: 80.0829  Negative charged surface: 281.307  Volume: 162.5
  Hydrophobic surface: 107.431  Hydrophilic surface: 253.959
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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:


MMs00255813
ASINEX-ZINC01700194