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NCID-ZINC05063294

 MMsINC code: MMs02435025
Type: Neutral
Formula: C15H20O11
SMILES:   O1C(C(OC)=O)C(C(OC)=O)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C
InChI:   InChI=1/C15H20O11/c1-6(16)23-10-9(13(19)21-4)11(14(20)22-5)26-15(25-8(3)18)12(10)24-7(2)17/h9-12,15H,1-5H3/t9-,10+,11-,12-,15+/m1/s1

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Potential Energy
Epot(MMFF94)=47.1695 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.314 g/mol  logS: -1.58216  SlogP: -0.9  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.337279  Sterimol/B1: 2.5341  Sterimol/B2: 2.65391  Sterimol/B3: 7.40996
  Sterimol/B4: 9.85062  Sterimol/L: 13.6323 
 
 Surface and Volume Properties
  Accessible surface: 622.59  Positive charged surface: 419.728  Negative charged surface: 202.862  Volume: 319.5
  Hydrophobic surface: 462.145  Hydrophilic surface: 160.445
 
 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.