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PUBCHEM-ZINC02165034

 MMsINC code: MMs02878586
Type: Neutral
Formula: C7H8O4S
SMILES:   S(O)(=O)(=O)C(O)c1ccccc1
InChI:   InChI=1/C7H8O4S/c8-7(12(9,10)11)6-4-2-1-3-5-6/h1-5,7-8H,(H,9,10,11)/t7-/m1/s1

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Potential Energy
Epot(MMFF94)=51.4235 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 188.203 g/mol  logS: -1.05718  SlogP: 0.0951  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.132082  Sterimol/B1: 3.41572  Sterimol/B2: 3.53928  Sterimol/B3: 3.93811
  Sterimol/B4: 4.10638  Sterimol/L: 11.0706 
 
 Surface and Volume Properties
  Accessible surface: 347.196  Positive charged surface: 158.353  Negative charged surface: 188.843  Volume: 151.75
  Hydrophobic surface: 191.203  Hydrophilic surface: 155.993
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs02878587
PUBCHEM-ZINC02165034