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NCID-ZINC04557053

 MMsINC code: MMs02391277
Type: Neutral
Formula: C15H20O11
SMILES:   O1C(C(OC)=O)C(OC(=O)C)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C
InChI:   InChI=1/C15H20O11/c1-6(16)22-10-11(23-7(2)17)13(24-8(3)18)15(25-9(4)19)26-12(10)14(20)21-5/h10-13,15H,1-5H3/t10-,11+,12-,13-,15+/m1/s1

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Potential Energy
Epot(MMFF94)=66.5971 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.314 g/mol  logS: -1.83304  SlogP: -0.7575  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.324888  Sterimol/B1: 2.48211  Sterimol/B2: 3.1719  Sterimol/B3: 6.93193
  Sterimol/B4: 9.47898  Sterimol/L: 13.6637 
 
 Surface and Volume Properties
  Accessible surface: 617.392  Positive charged surface: 395.417  Negative charged surface: 221.975  Volume: 321.25
  Hydrophobic surface: 451.726  Hydrophilic surface: 165.666
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.