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PUBCHEM-ZINC05362103

 MMsINC code: MMs03248945
Type: Neutral
Formula: C8H16O4S2
SMILES:   S(=O)(=O)(C)C1CCCCC1S(=O)(=O)C
InChI:   InChI=1/C8H16O4S2/c1-13(9,10)7-5-3-4-6-8(7)14(2,11)12/h7-8H,3-6H2,1-2H3/t7-,8+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=47.0631 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.344 g/mol  logS: -0.7688  SlogP: 0.3868  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.209158  Sterimol/B1: 3.3787  Sterimol/B2: 3.69401  Sterimol/B3: 3.84084
  Sterimol/B4: 4.91036  Sterimol/L: 10.7368 
 
 Surface and Volume Properties
  Accessible surface: 382.592  Positive charged surface: 227.241  Negative charged surface: 155.351  Volume: 198.5
  Hydrophobic surface: 292.255  Hydrophilic surface: 90.337
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.