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IBS-ZINC02283630

 MMsINC code: MMs01823428
Type: Neutral
Formula: C6H14O5S3
SMILES:   S(=O)(=O)(CC(C)C)CCSS(O)(=O)=O
InChI:   InChI=1/C6H14O5S3/c1-6(2)5-13(7,8)4-3-12-14(9,10)11/h6H,3-5H2,1-2H3,(H,9,10,11)

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Potential Energy
Epot(MMFF94)=-4.54829 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.371 g/mol  logS: -1.55681  SlogP: 0.0275  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.119102  Sterimol/B1: 2.3034  Sterimol/B2: 2.58829  Sterimol/B3: 4.54077
  Sterimol/B4: 4.86344  Sterimol/L: 13.6074 
 
 Surface and Volume Properties
  Accessible surface: 434.586  Positive charged surface: 215.838  Negative charged surface: 218.749  Volume: 200
  Hydrophobic surface: 185.789  Hydrophilic surface: 248.797
 
 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


MMs01823429
IBS-ZINC02283630