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NCID-ZINC01648142

 MMsINC code: MMs02288415
Type: Neutral
Formula: C10H8O4S
SMILES:   S(O)(=O)(=O)c1c2c(cccc2O)ccc1
InChI:   InChI=1/C10H8O4S/c11-8-5-1-3-7-4-2-6-9(10(7)8)15(12,13)14/h1-6,11H,(H,12,13,14)

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Potential Energy
Epot(MMFF94)=51.4167 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.236 g/mol  logS: -2.95088  SlogP: 1.2264  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0337152  Sterimol/B1: 2.86789  Sterimol/B2: 3.19853  Sterimol/B3: 3.48079
  Sterimol/B4: 6.05951  Sterimol/L: 11.1967 
 
 Surface and Volume Properties
  Accessible surface: 365.651  Positive charged surface: 173.774  Negative charged surface: 182.746  Volume: 179.75
  Hydrophobic surface: 233.935  Hydrophilic surface: 131.716
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs02288416
NCID-ZINC01648142