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ACROSORGANICS-ZINC01680376

 MMsINC code: MMs00010717
Type: Neutral
Formula: C7H6O6S
SMILES:   S(O)(=O)(=O)c1cc(C(O)=O)c(O)cc1
InChI:   InChI=1/C7H6O6S/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h1-3,8H,(H,9,10)(H,11,12,13)

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Potential Energy
Epot(MMFF94)=26.1973 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 218.185 g/mol  logS: -1.0424  SlogP: -0.2286  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0409405  Sterimol/B1: 2.74991  Sterimol/B2: 2.85605  Sterimol/B3: 3.04967
  Sterimol/B4: 5.87687  Sterimol/L: 10.7833 
 
 Surface and Volume Properties
  Accessible surface: 361.716  Positive charged surface: 168.993  Negative charged surface: 192.724  Volume: 158.75
  Hydrophobic surface: 109.008  Hydrophilic surface: 252.708
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  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


MMs00010718
ACROSORGANICS-ZINC01680376