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NCID-ZINC05085238

 MMsINC code: MMs02438680
Type: Neutral
Formula: C8H16O5S2
SMILES:   S1CCSC1C(O)C(O)C(O)C(O)CO
InChI:   InChI=1/C8H16O5S2/c9-3-4(10)5(11)6(12)7(13)8-14-1-2-15-8/h4-13H,1-3H2/t4-,5-,6-,7-/m1/s1

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Potential Energy
Epot(MMFF94)=98.7238 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.343 g/mol  logS: -0.59117  SlogP: -1.7716  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0512919  Sterimol/B1: 2.40421  Sterimol/B2: 2.80947  Sterimol/B3: 3.11795
  Sterimol/B4: 5.04381  Sterimol/L: 14.5133 
 
 Surface and Volume Properties
  Accessible surface: 437.69  Positive charged surface: 300.902  Negative charged surface: 136.788  Volume: 216.5
  Hydrophobic surface: 199.635  Hydrophilic surface: 238.055
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.