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IBS-ZINC00543189

 MMsINC code: MMs01751531
Type: Neutral
Formula: C14H26N2O4
SMILES:   O1C(CN(CC1C)C(=O)NC(CC(C)C)C(OC)=O)C
InChI:   InChI=1/C14H26N2O4/c1-9(2)6-12(13(17)19-5)15-14(18)16-7-10(3)20-11(4)8-16/h9-12H,6-8H2,1-5H3,(H,15,18)/t10-,11-,12+/m1/s1

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Potential Energy
Epot(MMFF94)=55.7666 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.372 g/mol  logS: -2.41183  SlogP: 1.3929  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.130966  Sterimol/B1: 2.82054  Sterimol/B2: 3.32273  Sterimol/B3: 5.11696
  Sterimol/B4: 5.87069  Sterimol/L: 14.872 
 
 Surface and Volume Properties
  Accessible surface: 547.054  Positive charged surface: 417.216  Negative charged surface: 129.838  Volume: 288.625
  Hydrophobic surface: 395.099  Hydrophilic surface: 151.955
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.