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ACROSORGANICS-ZINC01554037

 MMsINC code: MMs00009123
Type: Neutral
Formula: C10H8O3S
SMILES:   S(O)(=O)(=O)c1cc2c(cc1)cccc2
InChI:   InChI=1/C10H8O3S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,11,12,13)

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Potential Energy
Epot(MMFF94)=28.7469 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.237 g/mol  logS: -3.31283  SlogP: 1.5208  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0281161  Sterimol/B1: 2.78608  Sterimol/B2: 2.81125  Sterimol/B3: 4.17989
  Sterimol/B4: 4.2291  Sterimol/L: 11.9764 
 
 Surface and Volume Properties
  Accessible surface: 379.449  Positive charged surface: 156.994  Negative charged surface: 211.384  Volume: 175.875
  Hydrophobic surface: 260.351  Hydrophilic surface: 119.098
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs00009124
ACROSORGANICS-ZINC01554037