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PUBCHEM-ZINC01848665

 MMsINC code: MMs02824922
Type: Neutral
Formula: C10H8O5S
SMILES:   S(O)(=O)(=O)c1c2c(c(O)cc1)c(O)ccc2
InChI:   InChI=1/C10H8O5S/c11-7-3-1-2-6-9(16(13,14)15)5-4-8(12)10(6)7/h1-5,11-12H,(H,13,14,15)

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Potential Energy
Epot(MMFF94)=54.9721 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.235 g/mol  logS: -2.58893  SlogP: 0.932  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0346955  Sterimol/B1: 2.56508  Sterimol/B2: 2.63509  Sterimol/B3: 3.1747
  Sterimol/B4: 7.40441  Sterimol/L: 11.341 
 
 Surface and Volume Properties
  Accessible surface: 389.906  Positive charged surface: 182.155  Negative charged surface: 196.68  Volume: 186.875
  Hydrophobic surface: 198.948  Hydrophilic surface: 190.958
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  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


MMs02824923
PUBCHEM-ZINC01848665