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NCID-ZINC05047999

 MMsINC code: MMs02432441
Type: Neutral
Formula: C16H24O10
SMILES:   O1C(C(OC(=O)C)C(OC(=O)C)C)C(OC(=O)C)C(OC(=O)C)C1OC
InChI:   InChI=1/C16H24O10/c1-7(22-8(2)17)12(23-9(3)18)13-14(24-10(4)19)15(25-11(5)20)16(21-6)26-13/h7,12-16H,1-6H3/t7-,12-,13-,14+,15+,16-/m1/s1

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Potential Energy
Epot(MMFF94)=79.3906 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.358 g/mol  logS: -1.89472  SlogP: 0.1044  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.140617  Sterimol/B1: 2.74898  Sterimol/B2: 4.31269  Sterimol/B3: 6.30578
  Sterimol/B4: 6.43906  Sterimol/L: 13.5334 
 
 Surface and Volume Properties
  Accessible surface: 606.999  Positive charged surface: 391.705  Negative charged surface: 215.294  Volume: 336.875
  Hydrophobic surface: 471.07  Hydrophilic surface: 135.929
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 6
 
 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.