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PUBCHEM-ZINC00155926

 MMsINC code: MMs02635897
Type: Neutral
Formula: C8H10O2S2
SMILES:   S(=O)(=O)(CSC)c1ccccc1
InChI:   InChI=1/C8H10O2S2/c1-11-7-12(9,10)8-5-3-2-4-6-8/h2-6H,7H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=45.4778 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.298 g/mol  logS: -2.22295  SlogP: 1.7808  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0931466  Sterimol/B1: 3.16689  Sterimol/B2: 3.26202  Sterimol/B3: 3.78811
  Sterimol/B4: 5.18526  Sterimol/L: 11.3148 
 
 Surface and Volume Properties
  Accessible surface: 371.117  Positive charged surface: 183.565  Negative charged surface: 187.552  Volume: 179.375
  Hydrophobic surface: 282.197  Hydrophilic surface: 88.92
 
 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.