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PUBCHEM-ZINC05459548

 MMsINC code: MMs03276120
Type: Neutral
Formula: C17H30O10
SMILES:   O1C(COC2OCC(O)C(O)C2O)C(O)C(O)C(O)C1OCC\C=C\CC
InChI:   InChI=1/C17H30O10/c1-2-3-4-5-6-24-17-15(23)13(21)12(20)10(27-17)8-26-16-14(22)11(19)9(18)7-25-16/h3-4,9-23H,2,5-8H2,1H3/b4-3+/t9-,10-,11+,12-,13+,14-,15-,16+,17-/m1/s1

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Potential Energy
Epot(MMFF94)=117.038 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.417 g/mol  logS: -0.54222  SlogP: -2.3775  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0476763  Sterimol/B1: 2.49591  Sterimol/B2: 2.56725  Sterimol/B3: 3.41194
  Sterimol/B4: 12.8668  Sterimol/L: 15.4925 
 
 Surface and Volume Properties
  Accessible surface: 680.106  Positive charged surface: 516.632  Negative charged surface: 163.474  Volume: 357.25
  Hydrophobic surface: 381.619  Hydrophilic surface: 298.487
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 10  Acid groups: 0  Basic groups: 0
  Chiral centers: 9
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.