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ASINEX-ZINC01700194

 MMsINC code: MMs00255813
Type: Neutral
Formula: C6H6O7S2
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)

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Potential Energy
Epot(MMFF94)=13.2308 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.239 g/mol  logS: -1.12307  SlogP: -1.2458  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0619731  Sterimol/B1: 2.83058  Sterimol/B2: 3.05954  Sterimol/B3: 3.2988
  Sterimol/B4: 5.791  Sterimol/L: 11.2901 
 
 Surface and Volume Properties
  Accessible surface: 381.721  Positive charged surface: 147.881  Negative charged surface: 233.84  Volume: 168.5
  Hydrophobic surface: 105.737  Hydrophilic surface: 275.984
 
 Pharmacophoric Properties
  Hydrogen bond donors: 7  Hydrogen bond acceptors: 7  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


MMs00255814
ASINEX-ZINC01700194