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PUBCHEM-ZINC05998116

 MMsINC code: MMs03482133
Type: Neutral
Formula: C7H8O4S
SMILES:   S(OC)(=O)(=O)c1ccc(O)cc1
InChI:   InChI=1/C7H8O4S/c1-11-12(9,10)7-4-2-6(8)3-5-7/h2-5,8H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=32.2159 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 188.203 g/mol  logS: -1.41818  SlogP: 0.7273  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.106326  Sterimol/B1: 2.39511  Sterimol/B2: 3.12161  Sterimol/B3: 4.30552
  Sterimol/B4: 4.77156  Sterimol/L: 10.6621 
 
 Surface and Volume Properties
  Accessible surface: 344.848  Positive charged surface: 190.691  Negative charged surface: 154.157  Volume: 152.75
  Hydrophobic surface: 215.365  Hydrophilic surface: 129.483
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.