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PUBCHEM-ZINC05821627

 MMsINC code: MMs03400670
Type: Neutral
Formula: C5H12O2S
SMILES:   S(=O)(=O)(CCCC)C
InChI:   InChI=1/C5H12O2S/c1-3-4-5-8(2,6)7/h3-5H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=4.0994 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 136.215 g/mol  logS: -0.74591  SlogP: 0.8311  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0865261  Sterimol/B1: 2.87994  Sterimol/B2: 3.03537  Sterimol/B3: 3.0368
  Sterimol/B4: 3.15959  Sterimol/L: 11.344 
 
 Surface and Volume Properties
  Accessible surface: 325.942  Positive charged surface: 202.999  Negative charged surface: 122.944  Volume: 132.5
  Hydrophobic surface: 235.241  Hydrophilic surface: 90.701
 
 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.