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MAYBRIDGE-ZINC03046202

 MMsINC code: MMs02159980
Type: Neutral
Formula: C14H24N2O6
SMILES:   O1CCN(CC1)C(C(N1CCOCC1)C(OC)=O)C(OC)=O
InChI:   InChI=1/C14H24N2O6/c1-19-13(17)11(15-3-7-21-8-4-15)12(14(18)20-2)16-5-9-22-10-6-16/h11-12H,3-10H2,1-2H3/t11-,12-/m1/s1

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Potential Energy
Epot(MMFF94)=131.698 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 316.354 g/mol  logS: -0.78562  SlogP: -1.266  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.288795  Sterimol/B1: 2.11937  Sterimol/B2: 2.36205  Sterimol/B3: 5.83394
  Sterimol/B4: 8.25318  Sterimol/L: 12.4943 
 
 Surface and Volume Properties
  Accessible surface: 524.733  Positive charged surface: 468.671  Negative charged surface: 56.0615  Volume: 294.5
  Hydrophobic surface: 467.302  Hydrophilic surface: 57.431
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.