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PUBCHEM-ZINC04831694

 MMsINC code: MMs03177379
Type: Neutral
Formula: C8H18O6S2
SMILES:   S(=O)(=O)(CCCCS(=O)(=O)CCO)CCO
InChI:   InChI=1/C8H18O6S2/c9-3-7-15(11,12)5-1-2-6-16(13,14)8-4-10/h9-10H,1-8H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=4.51693 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.358 g/mol  logS: 0.18866  SlogP: -1.4192  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0278043  Sterimol/B1: 2.75803  Sterimol/B2: 3.03583  Sterimol/B3: 3.03631
  Sterimol/B4: 3.67196  Sterimol/L: 18.5888 
 
 Surface and Volume Properties
  Accessible surface: 492.625  Positive charged surface: 315.078  Negative charged surface: 177.547  Volume: 231.75
  Hydrophobic surface: 269.501  Hydrophilic surface: 223.124
 
 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.