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PUBCHEM-ZINC05836744

 MMsINC code: MMs03408412
Type: Neutral
Formula: C4H10O2S
SMILES:   S(=O)(=O)(CCC)C
InChI:   InChI=1/C4H10O2S/c1-3-4-7(2,5)6/h3-4H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=4.08392 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 122.188 g/mol  logS: -0.23069  SlogP: 0.441  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.118847  Sterimol/B1: 2.19342  Sterimol/B2: 3.03598  Sterimol/B3: 3.0362
  Sterimol/B4: 3.65278  Sterimol/L: 10.1394 
 
 Surface and Volume Properties
  Accessible surface: 294.42  Positive charged surface: 174.685  Negative charged surface: 119.735  Volume: 113.875
  Hydrophobic surface: 203.327  Hydrophilic surface: 91.093
 
 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.