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AURORAFEINCHEMIE-ZINC00541174

 MMsINC code: MMs00447507
Type: Neutral
Formula: C15H28N2O3
SMILES:   O(C(=O)C(NC(=O)N1CCCCC1CC)C(CC)C)C
InChI:   InChI=1/C15H28N2O3/c1-5-11(3)13(14(18)20-4)16-15(19)17-10-8-7-9-12(17)6-2/h11-13H,5-10H2,1-4H3,(H,16,19)/t11-,12+,13+/m1/s1

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Potential Energy
Epot(MMFF94)=63.3128 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.4 g/mol  logS: -2.43561  SlogP: 2.5482  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.161604  Sterimol/B1: 2.97965  Sterimol/B2: 3.2391  Sterimol/B3: 5.28123
  Sterimol/B4: 7.26983  Sterimol/L: 13.4061 
 
 Surface and Volume Properties
  Accessible surface: 536.867  Positive charged surface: 423.797  Negative charged surface: 113.069  Volume: 292.125
  Hydrophobic surface: 441.404  Hydrophilic surface: 95.463
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.