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ACROSORGANICS-ZINC01648143

 MMsINC code: MMs00010160
Type: Neutral
Formula: C10H8O7S2
SMILES:   S(O)(=O)(=O)c1cc(O)c2c(c1)cc(S(O)(=O)=O)cc2
InChI:   InChI=1/C10H8O7S2/c11-10-5-8(19(15,16)17)4-6-3-7(18(12,13)14)1-2-9(6)10/h1-5,11H,(H,12,13,14)(H,15,16,17)

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Potential Energy
Epot(MMFF94)=26.3399 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: 0.0371186  Sterimol/B1: 2.82668  Sterimol/B2: 2.90384  Sterimol/B3: 3.75163
  Sterimol/B4: 5.42881  Sterimol/L: 13.3977 
 
 Surface and Volume Properties
  Accessible surface: 449.136  Positive charged surface: 171.054  Negative charged surface: 267.011  Volume: 217.5
  Hydrophobic surface: 164.063  Hydrophilic surface: 285.073
 
 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


MMs00010161
ACROSORGANICS-ZINC01648143