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ACROSORGANICS-ZINC01577151

 MMsINC code: MMs00009410
Type: Neutral
Formula: C10H8O7S2
SMILES:   S(O)(=O)(=O)c1cc(S(O)(=O)=O)cc2c1cc(O)cc2
InChI:   InChI=1/C10H8O7S2/c11-7-2-1-6-3-8(18(12,13)14)5-10(9(6)4-7)19(15,16)17/h1-5,11H,(H,12,13,14)(H,15,16,17)

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Potential Energy
Epot(MMFF94)=33.4951 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 304.299 g/mol  logS: -3.00095  SlogP: -0.0926  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0432786  Sterimol/B1: 2.51113  Sterimol/B2: 2.72241  Sterimol/B3: 3.39707
  Sterimol/B4: 8.21015  Sterimol/L: 12.6043 
 
 Surface and Volume Properties
  Accessible surface: 446.141  Positive charged surface: 171.051  Negative charged surface: 264.018  Volume: 213.875
  Hydrophobic surface: 161.376  Hydrophilic surface: 284.765
 
 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


MMs00009411
ACROSORGANICS-ZINC01577151