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ACROSORGANICS-ZINC01532215

 MMsINC code: MMs00009004
Type: Neutral
Formula: C10H8O8S2
SMILES:   S(O)(=O)(=O)c1cc(O)c2c(c1)cc(S(O)(=O)=O)cc2O
InChI:   InChI=1/C10H8O8S2/c11-8-3-6(19(13,14)15)1-5-2-7(20(16,17)18)4-9(12)10(5)8/h1-4,11-12H,(H,13,14,15)(H,16,17,18)

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Potential Energy
Epot(MMFF94)=35.0617 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 320.298 g/mol  logS: -2.639  SlogP: -0.387  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0381202  Sterimol/B1: 2.82175  Sterimol/B2: 2.95402  Sterimol/B3: 3.35327
  Sterimol/B4: 5.92508  Sterimol/L: 13.2915 
 
 Surface and Volume Properties
  Accessible surface: 457.802  Positive charged surface: 181.69  Negative charged surface: 265.041  Volume: 222.5
  Hydrophobic surface: 139.537  Hydrophilic surface: 318.265
 
 Pharmacophoric Properties
  Hydrogen bond donors: 8  Hydrogen bond acceptors: 8  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


MMs00009005
ACROSORGANICS-ZINC01532215