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PUBCHEM-ZINC03640445

 MMsINC code: MMs03031034
Type: Neutral
Formula: C4H10O3S
SMILES:   S(=O)(=O)(CCCO)C
InChI:   InChI=1/C4H10O3S/c1-8(6,7)4-2-3-5/h5H,2-4H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=6.79223 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 138.187 g/mol  logS: 0.29906  SlogP: -0.5866  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0928635  Sterimol/B1: 2.11113  Sterimol/B2: 3.03529  Sterimol/B3: 3.03639
  Sterimol/B4: 3.72864  Sterimol/L: 11.0627 
 
 Surface and Volume Properties
  Accessible surface: 309.528  Positive charged surface: 193.601  Negative charged surface: 115.928  Volume: 118.875
  Hydrophobic surface: 188.656  Hydrophilic surface: 120.872
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.