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AURORAFEINCHEMIE-ZINC05323392

 MMsINC code: MMs00473785
Type: Neutral
Formula: C16H28N2O5
SMILES:   O(C(=O)C1CCN(CC1)C(=O)NC(C(CC)C)C(OC)=O)CC
InChI:   InChI=1/C16H28N2O5/c1-5-11(3)13(15(20)22-4)17-16(21)18-9-7-12(8-10-18)14(19)23-6-2/h11-13H,5-10H2,1-4H3,(H,17,21)/t11-,13+/m1/s1

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Potential Energy
Epot(MMFF94)=34.9864 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 328.409 g/mol  logS: -2.19672  SlogP: 1.5588  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.106933  Sterimol/B1: 2.41734  Sterimol/B2: 3.61955  Sterimol/B3: 5.23766
  Sterimol/B4: 7.45583  Sterimol/L: 18.0696 
 
 Surface and Volume Properties
  Accessible surface: 606.997  Positive charged surface: 469.38  Negative charged surface: 137.617  Volume: 324.875
  Hydrophobic surface: 462.343  Hydrophilic surface: 144.654
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.