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ACROSORGANICS-ZINC01666230

 MMsINC code: MMs00010408
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-/m1/s1

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Potential Energy
Epot(MMFF94)=39.4825 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: 0.0759625  Sterimol/B1: 2.5213  Sterimol/B2: 3.31081  Sterimol/B3: 3.31858
  Sterimol/B4: 3.6287  Sterimol/L: 14.6185 
 
 Surface and Volume Properties
  Accessible surface: 422.976  Positive charged surface: 206.934  Negative charged surface: 216.042  Volume: 185.125
  Hydrophobic surface: 106.068  Hydrophilic surface: 316.908
 
 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


MMs00010409
ACROSORGANICS-ZINC01666230