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PUBCHEM-ZINC05998106

 MMsINC code: MMs03482125
Type: Neutral
Formula: C3H8O4S
SMILES:   S(OC)(=O)(=O)CCO
InChI:   InChI=1/C3H8O4S/c1-7-8(5,6)3-2-4/h4H,2-3H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=8.09582 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 140.159 g/mol  logS: 0.24627  SlogP: -1.0451  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.117773  Sterimol/B1: 2.34915  Sterimol/B2: 3.03018  Sterimol/B3: 3.11143
  Sterimol/B4: 4.5151  Sterimol/L: 10.0433 
 
 Surface and Volume Properties
  Accessible surface: 290.907  Positive charged surface: 190.051  Negative charged surface: 100.855  Volume: 109.25
  Hydrophobic surface: 157.892  Hydrophilic surface: 133.015
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.