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PUBCHEM-ZINC06357348

 MMsINC code: MMs03683686
Type: Neutral
Formula: C4H10O2S
SMILES:   [SH](=O)(=O)C(C)(C)C
InChI:   InChI=1/C4H10O2S/c1-4(2,3)7(5)6/h7H,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=11.8316 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 122.188 g/mol  logS: -1.29467  SlogP: 0.3963  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.818794  Sterimol/B1: 2.28793  Sterimol/B2: 2.82744  Sterimol/B3: 4.10383
  Sterimol/B4: 4.91295  Sterimol/L: 7.28499 
 
 Surface and Volume Properties
  Accessible surface: 280.482  Positive charged surface: 158.008  Negative charged surface: 122.474  Volume: 113
  Hydrophobic surface: 152.343  Hydrophilic surface: 128.139
 
 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.