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SPECS-ZINC04104919

 MMsINC code: MMs03937096
Type: Neutral
Formula: C7H14O8S
SMILES:   S(O)(=O)(=O)CC1OC(O)C(O)C(O)C1OC
InChI:   InChI=1/C7H14O8S/c1-14-6-3(2-16(11,12)13)15-7(10)5(9)4(6)8/h3-10H,2H2,1H3,(H,11,12,13)/t3-,4-,5-,6+,7-/m1/s1

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Potential Energy
Epot(MMFF94)=40.4849 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.247 g/mol  logS: 0.68168  SlogP: -3.2375  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.145619  Sterimol/B1: 2.14657  Sterimol/B2: 2.50206  Sterimol/B3: 4.12737
  Sterimol/B4: 7.64593  Sterimol/L: 11.7774 
 
 Surface and Volume Properties
  Accessible surface: 418.027  Positive charged surface: 284.869  Negative charged surface: 133.158  Volume: 197.875
  Hydrophobic surface: 168.728  Hydrophilic surface: 249.299
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 8  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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


MMs03937097
SPECS-ZINC04104919