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AURORAFEINCHEMIE-ZINC05269165

 MMsINC code: MMs00473364
Type: Neutral
Formula: C15H26N2O5
SMILES:   O(C(=O)C1CCN(CC1)C(=O)NC(CC(C)C)C(OC)=O)C
InChI:   InChI=1/C15H26N2O5/c1-10(2)9-12(14(19)22-4)16-15(20)17-7-5-11(6-8-17)13(18)21-3/h10-12H,5-9H2,1-4H3,(H,16,20)/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=28.4009 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 314.382 g/mol  logS: -2.18296  SlogP: 1.1687  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0838118  Sterimol/B1: 2.36369  Sterimol/B2: 2.76866  Sterimol/B3: 4.19449
  Sterimol/B4: 8.62691  Sterimol/L: 16.9593 
 
 Surface and Volume Properties
  Accessible surface: 592.181  Positive charged surface: 466.345  Negative charged surface: 125.836  Volume: 307.875
  Hydrophobic surface: 459.699  Hydrophilic surface: 132.482
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.