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PUBCHEM-ZINC05362233

 MMsINC code: MMs03249008
Type: Neutral
Formula: C8H10O2S
SMILES:   S(=O)(C)c1ccc(O)cc1C
InChI:   InChI=1/C8H10O2S/c1-6-5-7(9)3-4-8(6)11(2)10/h3-5,9H,1-2H3/t11-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=49.1685 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.232 g/mol  logS: -1.47357  SlogP: 1.43802  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.122306  Sterimol/B1: 2.20735  Sterimol/B2: 2.99111  Sterimol/B3: 3.00869
  Sterimol/B4: 5.94731  Sterimol/L: 10.7605 
 
 Surface and Volume Properties
  Accessible surface: 345.601  Positive charged surface: 210.959  Negative charged surface: 134.643  Volume: 159
  Hydrophobic surface: 248.277  Hydrophilic surface: 97.324
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.