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PUBCHEM-ZINC05315632

 MMsINC code: MMs03238089
Type: Neutral
Formula: C14H21NO9
SMILES:   O1CC(OC(=O)C)C(OC(=O)C)C(OC(=O)C)C1NC(OCC)=O
InChI:   InChI=1/C14H21NO9/c1-5-20-14(19)15-13-12(24-9(4)18)11(23-8(3)17)10(6-21-13)22-7(2)16/h10-13H,5-6H2,1-4H3,(H,15,19)/t10-,11-,12-,13+/m1/s1

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Potential Energy
Epot(MMFF94)=24.1801 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 347.32 g/mol  logS: -1.58594  SlogP: -0.1161  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.200798  Sterimol/B1: 4.53793  Sterimol/B2: 4.88467  Sterimol/B3: 4.91936
  Sterimol/B4: 4.93451  Sterimol/L: 16.2986 
 
 Surface and Volume Properties
  Accessible surface: 609.448  Positive charged surface: 400.932  Negative charged surface: 208.515  Volume: 305.375
  Hydrophobic surface: 431.664  Hydrophilic surface: 177.784
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.