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NCID-ZINC01667914

 MMsINC code: MMs02304048
Type: Ionized
Formula: C5H8O7S2-2
SMILES:   S(=O)(=O)([O-])C1CCCC1OS(=O)(=O)[O-]
InChI:   InChI=1/C5H10O7S2/c6-13(7,8)5-3-1-2-4(5)12-14(9,10)11/h4-5H,1-3H2,(H,6,7,8)(H,9,10,11)/p-2/t4-,5-/m0/s1

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Potential Energy
Epot(MMFF94)=9.89629 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.244 g/mol  logS: -0.78339  SlogP: -1.0705  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.264448  Sterimol/B1: 2.25885  Sterimol/B2: 3.33385  Sterimol/B3: 3.40872
  Sterimol/B4: 6.52167  Sterimol/L: 10.5639 
 
 Surface and Volume Properties
  Accessible surface: 364.313  Positive charged surface: 128.51  Negative charged surface: 235.804  Volume: 161.875
  Hydrophobic surface: 140.332  Hydrophilic surface: 223.981
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 6  Basic groups: 0
  Chiral centers: 2
 
 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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Parent related molecule:


MMs02304047
NCID-ZINC01667914