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PUBCHEM-ZINC06933155

 MMsINC code: MMs03906475
Type: Neutral
Formula: C8H16O5S
SMILES:   S(C)(=[CH2])C1OC(CO)C(O)C(O)C1O
InChI:   InChI=1/C8H16O5S/c1-14(2)8-7(12)6(11)5(10)4(3-9)13-8/h4-12H,1,3H2,2H3/t4-,5+,6+,7+,8-,14+/m0/s1

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Potential Energy
Epot(MMFF94)=93.2399 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.277 g/mol  logS: 0.20437  SlogP: -2.17401  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.194798  Sterimol/B1: 2.58269  Sterimol/B2: 3.94016  Sterimol/B3: 4.58901
  Sterimol/B4: 4.93946  Sterimol/L: 10.2401 
 
 Surface and Volume Properties
  Accessible surface: 399.388  Positive charged surface: 272.38  Negative charged surface: 127.008  Volume: 195.5
  Hydrophobic surface: 211.85  Hydrophilic surface: 187.538
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  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: no related molecules available.