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PUBCHEM-ZINC06018366

 MMsINC code: MMs03494042
Type: Neutral
Formula: C8H10O4S
SMILES:   S(OC)(=O)(=O)c1ccc(OC)cc1
InChI:   InChI=1/C8H10O4S/c1-11-7-3-5-8(6-4-7)13(9,10)12-2/h3-6H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=43.0442 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.23 g/mol  logS: -1.83051  SlogP: 1.0303  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0809008  Sterimol/B1: 2.47825  Sterimol/B2: 3.09839  Sterimol/B3: 3.59721
  Sterimol/B4: 4.84539  Sterimol/L: 11.6633 
 
 Surface and Volume Properties
  Accessible surface: 375.674  Positive charged surface: 235.924  Negative charged surface: 139.749  Volume: 170.75
  Hydrophobic surface: 289.03  Hydrophilic surface: 86.644
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.