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PUBCHEM-ZINC05113716

 MMsINC code: MMs03201880
Type: Neutral
Formula: C5H12O6S2
SMILES:   S(=O)(=O)(CCO)CS(=O)(=O)CCO
InChI:   InChI=1/C5H12O6S2/c6-1-3-12(8,9)5-13(10,11)4-2-7/h6-7H,1-5H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-1.06512 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.277 g/mol  logS: 0.8867  SlogP: -2.2419  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.134418  Sterimol/B1: 2.57584  Sterimol/B2: 3.25247  Sterimol/B3: 3.64997
  Sterimol/B4: 4.93546  Sterimol/L: 11.6104 
 
 Surface and Volume Properties
  Accessible surface: 388.401  Positive charged surface: 236.929  Negative charged surface: 151.472  Volume: 172.75
  Hydrophobic surface: 172.575  Hydrophilic surface: 215.826
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  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.