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AURORAFEINCHEMIE-ZINC05348592

 MMsINC code: MMs00474597
Type: Neutral
Formula: C14H25N3O4
SMILES:   O(C(=O)C(NC(=O)N1CCN(CC1)C(=O)C)C(CC)C)C
InChI:   InChI=1/C14H25N3O4/c1-5-10(2)12(13(19)21-4)15-14(20)17-8-6-16(7-9-17)11(3)18/h10,12H,5-9H2,1-4H3,(H,15,20)/t10-,12+/m1/s1

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Potential Energy
Epot(MMFF94)=60.7113 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 299.371 g/mol  logS: -1.37526  SlogP: 0.4478  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.128318  Sterimol/B1: 2.38604  Sterimol/B2: 3.54429  Sterimol/B3: 3.99927
  Sterimol/B4: 8.77065  Sterimol/L: 14.2891 
 
 Surface and Volume Properties
  Accessible surface: 552.818  Positive charged surface: 414.352  Negative charged surface: 138.466  Volume: 293.5
  Hydrophobic surface: 422.983  Hydrophilic surface: 129.835
 
 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.