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NCID-ZINC01683365

 MMsINC code: MMs02316975
Type: Neutral
Formula: C10H8O5S
SMILES:   S(O)(=O)(=O)c1cc2cc(O)c(O)cc2cc1
InChI:   InChI=1/C10H8O5S/c11-9-4-6-1-2-8(16(13,14)15)3-7(6)5-10(9)12/h1-5,11-12H,(H,13,14,15)

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Potential Energy
Epot(MMFF94)=40.2863 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: 0.0256451  Sterimol/B1: 2.54157  Sterimol/B2: 2.70792  Sterimol/B3: 2.88858
  Sterimol/B4: 5.81008  Sterimol/L: 12.5015 
 
 Surface and Volume Properties
  Accessible surface: 403.563  Positive charged surface: 185.564  Negative charged surface: 206.928  Volume: 189
  Hydrophobic surface: 186.125  Hydrophilic surface: 217.438
 
 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


MMs02316976
NCID-ZINC01683365