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CHEMSTAR-ZINC03160903

 MMsINC code: MMs01084982
Type: Neutral
Formula: C6H14O5S3
SMILES:   S(=O)(=O)(CCCC)CCSS(O)(=O)=O
InChI:   InChI=1/C6H14O5S3/c1-2-3-5-13(7,8)6-4-12-14(9,10)11/h2-6H2,1H3,(H,9,10,11)

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Potential Energy
Epot(MMFF94)=-15.5765 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.371 g/mol  logS: -1.87026  SlogP: 0.1716  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0632962  Sterimol/B1: 3.00824  Sterimol/B2: 3.29737  Sterimol/B3: 3.35208
  Sterimol/B4: 4.61422  Sterimol/L: 14.6751 
 
 Surface and Volume Properties
  Accessible surface: 444.324  Positive charged surface: 226.7  Negative charged surface: 217.623  Volume: 203.875
  Hydrophobic surface: 204.869  Hydrophilic surface: 239.455
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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


MMs01084983
CHEMSTAR-ZINC03160903