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PUBCHEM-ZINC06371583

 MMsINC code: MMs03689873
Type: Neutral
Formula: C4H10O2S
SMILES:   S(=O)(CCO)CC
InChI:   InChI=1/C4H10O2S/c1-2-7(6)4-3-5/h5H,2-4H2,1H3/t7-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=9.24849 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 122.188 g/mol  logS: 0.02414  SlogP: -0.2527  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0680177  Sterimol/B1: 2.5364  Sterimol/B2: 2.7859  Sterimol/B3: 3.11157
  Sterimol/B4: 3.19494  Sterimol/L: 11.0502 
 
 Surface and Volume Properties
  Accessible surface: 303.523  Positive charged surface: 229.597  Negative charged surface: 73.9253  Volume: 117.125
  Hydrophobic surface: 197.216  Hydrophilic surface: 106.307
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.