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CHEMSTAR-ZINC04016389

 MMsINC code: MMs01087452
Type: Neutral
Formula: C4H10O8S5
SMILES:   S(=O)(=O)(CCSS(O)(=O)=O)CCSS(O)(=O)=O
InChI:   InChI=1/C4H10O8S5/c5-15(6,3-1-13-16(7,8)9)4-2-14-17(10,11)12/h1-4H2,(H,7,8,9)(H,10,11,12)

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Potential Energy
Epot(MMFF94)=-30.6715 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 346.446 g/mol  logS: -1.95041  SlogP: -1.6582  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0966695  Sterimol/B1: 2.75511  Sterimol/B2: 2.87265  Sterimol/B3: 4.82863
  Sterimol/B4: 4.94917  Sterimol/L: 14.2989 
 
 Surface and Volume Properties
  Accessible surface: 476.196  Positive charged surface: 168.716  Negative charged surface: 307.48  Volume: 221.25
  Hydrophobic surface: 102.013  Hydrophilic surface: 374.183
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 8  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


MMs01087453
CHEMSTAR-ZINC04016389