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PUBCHEM-ZINC05631133

 MMsINC code: MMs03329223
Type: Neutral
Formula: C8H14O6S3
SMILES:   S(C1CS(=O)(=O)CC1O)C1CS(=O)(=O)CC1O
InChI:   InChI=1/C8H14O6S3/c9-5-1-16(11,12)3-7(5)15-8-4-17(13,14)2-6(8)10/h5-10H,1-4H2/t5-,6+,7+,8-

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Potential Energy
Epot(MMFF94)=74.999 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 302.392 g/mol  logS: -0.69736  SlogP: -1.9646  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0996622  Sterimol/B1: 2.72039  Sterimol/B2: 3.69538  Sterimol/B3: 3.91848
  Sterimol/B4: 4.30742  Sterimol/L: 12.3628 
 
 Surface and Volume Properties
  Accessible surface: 442.34  Positive charged surface: 232.851  Negative charged surface: 209.489  Volume: 225.625
  Hydrophobic surface: 187.331  Hydrophilic surface: 255.009
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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: no related molecules available.