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PUBCHEM-ZINC02165064

 MMsINC code: MMs02878610
Type: Neutral
Formula: C6H14O2S
SMILES:   S(=O)(=O)(CCCC)CC
InChI:   InChI=1/C6H14O2S/c1-3-5-6-9(7,8)4-2/h3-6H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=0.933914 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 150.242 g/mol  logS: -1.07312  SlogP: 1.2212  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0643059  Sterimol/B1: 2.87739  Sterimol/B2: 2.95264  Sterimol/B3: 3.03554
  Sterimol/B4: 3.03663  Sterimol/L: 12.5842 
 
 Surface and Volume Properties
  Accessible surface: 352.816  Positive charged surface: 231.861  Negative charged surface: 120.956  Volume: 147.5
  Hydrophobic surface: 249.591  Hydrophilic surface: 103.225
 
 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.