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ACROSORGANICS-ZINC01666230

 MMsINC code: MMs00010409
Type: Ionized
Formula: C5H10O8S2-2
SMILES:   S(=O)(=O)([O-])C(O)CCCC(S(=O)(=O)[O-])O
InChI:   InChI=1/C5H12O8S2/c6-4(14(8,9)10)2-1-3-5(7)15(11,12)13/h4-7H,1-3H2,(H,8,9,10)(H,11,12,13)/p-2/t4-,5-/m1/s1

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Potential Energy
Epot(MMFF94)=62.6781 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.259 g/mol  logS: 0.26363  SlogP: -2.1161  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0985519  Sterimol/B1: 2.61303  Sterimol/B2: 2.94108  Sterimol/B3: 2.94222
  Sterimol/B4: 3.97588  Sterimol/L: 13.5382 
 
 Surface and Volume Properties
  Accessible surface: 404.217  Positive charged surface: 148.59  Negative charged surface: 255.627  Volume: 176.75
  Hydrophobic surface: 107.474  Hydrophilic surface: 296.743
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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:


MMs00010408
ACROSORGANICS-ZINC01666230