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NCID-ZINC05883035

 MMsINC code: MMs02509311
Type: Neutral
Formula: C7H14O8S
SMILES:   S(O)(=O)(=O)CC1OC(OC)C(O)C(O)C1O
InChI:   InChI=1/C7H14O8S/c1-14-7-6(10)5(9)4(8)3(15-7)2-16(11,12)13/h3-10H,2H2,1H3,(H,11,12,13)/t3-,4+,5+,6+,7+/m0/s1

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Potential Energy
Epot(MMFF94)=49.1795 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: 0.191879  Sterimol/B1: 2.16105  Sterimol/B2: 2.66667  Sterimol/B3: 4.2248
  Sterimol/B4: 7.08567  Sterimol/L: 11.7485 
 
 Surface and Volume Properties
  Accessible surface: 408.935  Positive charged surface: 285.257  Negative charged surface: 123.678  Volume: 195.375
  Hydrophobic surface: 171.566  Hydrophilic surface: 237.369
 
 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


MMs02509312
NCID-ZINC05883035