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PUBCHEM-ZINC05362239

 MMsINC code: MMs03249009
Type: Neutral
Formula: C8H10O2S2
SMILES:   S(=O)(=O)(C)c1ccc(SC)cc1
InChI:   InChI=1/C8H10O2S2/c1-11-7-3-5-8(6-4-7)12(2,9)10/h3-6H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=34.6735 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.298 g/mol  logS: -2.54697  SlogP: 1.812  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0747136  Sterimol/B1: 2.79587  Sterimol/B2: 2.87221  Sterimol/B3: 3.55039
  Sterimol/B4: 4.7596  Sterimol/L: 12.6406 
 
 Surface and Volume Properties
  Accessible surface: 380.623  Positive charged surface: 172.92  Negative charged surface: 207.703  Volume: 175.5
  Hydrophobic surface: 270.307  Hydrophilic surface: 110.316
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.