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NCID-ZINC04916025

 MMsINC code: MMs02415784
Type: Neutral
Formula: C16H22O10S
SMILES:   S(C(=O)C)C1OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C
InChI:   InChI=1/C16H22O10S/c1-7(17)22-6-12-13(23-8(2)18)14(24-9(3)19)15(25-10(4)20)16(26-12)27-11(5)21/h12-16H,6H2,1-5H3/t12-,13-,14-,15-,16-/m0/s1

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Potential Energy
Epot(MMFF94)=74.9355 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.408 g/mol  logS: -2.81142  SlogP: 0.3492  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.351992  Sterimol/B1: 2.67422  Sterimol/B2: 5.08949  Sterimol/B3: 6.02153
  Sterimol/B4: 8.19112  Sterimol/L: 13.8316 
 
 Surface and Volume Properties
  Accessible surface: 645.554  Positive charged surface: 386.739  Negative charged surface: 258.814  Volume: 350.375
  Hydrophobic surface: 470.917  Hydrophilic surface: 174.637
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  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.