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PUBCHEM-ZINC02379171

 MMsINC code: MMs02885812
Type: Neutral
Formula: C5H12O5S3
SMILES:   S(O)(=O)(=O)CCCCSS(=O)(=O)C
InChI:   InChI=1/C5H12O5S3/c1-12(6,7)11-4-2-3-5-13(8,9)10/h2-5H2,1H3,(H,8,9,10)

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Potential Energy
Epot(MMFF94)=2.95563 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 248.344 g/mol  logS: -1.2296  SlogP: -0.2185  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.097777  Sterimol/B1: 2.48273  Sterimol/B2: 2.50014  Sterimol/B3: 4.34405
  Sterimol/B4: 4.67111  Sterimol/L: 13.29 
 
 Surface and Volume Properties
  Accessible surface: 416.237  Positive charged surface: 194.29  Negative charged surface: 221.947  Volume: 184.25
  Hydrophobic surface: 189.598  Hydrophilic surface: 226.639
 
 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


MMs02885813
PUBCHEM-ZINC02379171