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AURORAFEINCHEMIE-ZINC00542057

 MMsINC code: MMs00447530
Type: Neutral
Formula: C15H28N2O3
SMILES:   O(C(=O)C(NC(=O)NC1CCCCC1C)C(CC)C)C
InChI:   InChI=1/C15H28N2O3/c1-5-10(2)13(14(18)20-4)17-15(19)16-12-9-7-6-8-11(12)3/h10-13H,5-9H2,1-4H3,(H2,16,17,19)/t10-,11+,12-,13+/m1/s1

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Potential Energy
Epot(MMFF94)=20.0174 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.4 g/mol  logS: -2.93138  SlogP: 2.452  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.121579  Sterimol/B1: 2.48529  Sterimol/B2: 3.43648  Sterimol/B3: 3.98817
  Sterimol/B4: 8.91941  Sterimol/L: 13.2196 
 
 Surface and Volume Properties
  Accessible surface: 557.949  Positive charged surface: 417.196  Negative charged surface: 140.753  Volume: 298.375
  Hydrophobic surface: 444.102  Hydrophilic surface: 113.847
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.