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PUBCHEM-ZINC06020806

 MMsINC code: MMs03495985
Type: Neutral
Formula: C4H10O4S
SMILES:   S(OC(CO)C)(=O)(=O)C
InChI:   InChI=1/C4H10O4S/c1-4(3-5)8-9(2,6)7/h4-5H,3H2,1-2H3/t4-/m0/s1

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Potential Energy
Epot(MMFF94)=26.5312 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 154.186 g/mol  logS: -0.08094  SlogP: -0.6566  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.183285  Sterimol/B1: 2.34458  Sterimol/B2: 2.48073  Sterimol/B3: 3.95189
  Sterimol/B4: 4.89562  Sterimol/L: 9.31363 
 
 Surface and Volume Properties
  Accessible surface: 316.725  Positive charged surface: 188.26  Negative charged surface: 128.465  Volume: 126
  Hydrophobic surface: 171.006  Hydrophilic surface: 145.719
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.