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ACROSORGANICS-ZINC01691305

 MMsINC code: MMs00011107
Type: Neutral
Formula: C10H8O8S2
SMILES:   S(O)(=O)(=O)c1cc2cc(S(O)(=O)=O)c(O)cc2cc1O
InChI:   InChI=1/C10H8O8S2/c11-7-1-5-2-8(12)10(20(16,17)18)4-6(5)3-9(7)19(13,14)15/h1-4,11-12H,(H,13,14,15)(H,16,17,18)

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Potential Energy
Epot(MMFF94)=32.9062 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: 0.028845  Sterimol/B1: 2.56514  Sterimol/B2: 3.20234  Sterimol/B3: 3.23419
  Sterimol/B4: 5.93408  Sterimol/L: 14.2752 
 
 Surface and Volume Properties
  Accessible surface: 458.769  Positive charged surface: 190.588  Negative charged surface: 257.11  Volume: 221.875
  Hydrophobic surface: 148.33  Hydrophilic surface: 310.439
 
 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


MMs00011108
ACROSORGANICS-ZINC01691305