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NCID-ZINC05664257

 MMsINC code: MMs02485009
Type: Neutral
Formula: C15H22O10
SMILES:   O1COC2C(OCOC2)C1C(OC(=O)C)C(OC(=O)C)COC(=O)C
InChI:   InChI=1/C15H22O10/c1-8(16)20-5-12(24-9(2)17)14(25-10(3)18)15-13-11(21-7-23-15)4-19-6-22-13/h11-15H,4-7H2,1-3H3/t11-,12-,13+,14-,15+/m1/s1

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Potential Energy
Epot(MMFF94)=76.6399 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 362.331 g/mol  logS: -1.11637  SlogP: -0.4727  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0953812  Sterimol/B1: 3.4859  Sterimol/B2: 3.64127  Sterimol/B3: 5.4894
  Sterimol/B4: 6.58116  Sterimol/L: 15.2042 
 
 Surface and Volume Properties
  Accessible surface: 582.741  Positive charged surface: 400.53  Negative charged surface: 182.21  Volume: 314.875
  Hydrophobic surface: 415.9  Hydrophilic surface: 166.841
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 7  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.