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ACROSORGANICS-ZINC01666228

 MMsINC code: MMs00010406
Type: Neutral
Formula: C5H12O8S2
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)/t4-,5+

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Potential Energy
Epot(MMFF94)=39.6687 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.275 g/mol  logS: 0.40667  SlogP: -2.5623  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0633794  Sterimol/B1: 2.56  Sterimol/B2: 3.19853  Sterimol/B3: 3.88567
  Sterimol/B4: 3.9515  Sterimol/L: 14.6308 
 
 Surface and Volume Properties
  Accessible surface: 422.268  Positive charged surface: 207.815  Negative charged surface: 214.453  Volume: 187.375
  Hydrophobic surface: 105.321  Hydrophilic surface: 316.947
 
 Pharmacophoric Properties
  Hydrogen bond donors: 8  Hydrogen bond acceptors: 8  Acid groups: 0  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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Ions/Tautomers related molecules


MMs00010407
ACROSORGANICS-ZINC01666228