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PUBCHEM-ZINC02913540

 MMsINC code: MMs02958432
Type: Neutral
Formula: C8H18O5S3
SMILES:   S(=O)(=O)(CCCCCC)CCSS(O)(=O)=O
InChI:   InChI=1/C8H18O5S3/c1-2-3-4-5-7-15(9,10)8-6-14-16(11,12)13/h2-8H2,1H3,(H,11,12,13)

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Potential Energy
Epot(MMFF94)=-15.5178 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.425 g/mol  logS: -2.9007  SlogP: 0.9518  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0433015  Sterimol/B1: 3.25352  Sterimol/B2: 3.31591  Sterimol/B3: 3.39781
  Sterimol/B4: 4.66744  Sterimol/L: 17.0621 
 
 Surface and Volume Properties
  Accessible surface: 505.205  Positive charged surface: 279.176  Negative charged surface: 226.029  Volume: 236.625
  Hydrophobic surface: 265.294  Hydrophilic surface: 239.911
 
 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


MMs02958433
PUBCHEM-ZINC02913540