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ENAMINE-ZINC04469502

 MMsINC code: MMs01539827
Type: Neutral
Formula: C15H24N2O3
SMILES:   O=C1N(CC(=O)C(C)(C)C)C(=O)NC12CCCCCC2
InChI:   InChI=1/C15H24N2O3/c1-14(2,3)11(18)10-17-12(19)15(16-13(17)20)8-6-4-5-7-9-15/h4-10H2,1-3H3,(H,16,20)

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Potential Energy
Epot(MMFF94)=68.8971 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 280.368 g/mol  logS: -2.96487  SlogP: 2.2464  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.100297  Sterimol/B1: 2.41016  Sterimol/B2: 3.39952  Sterimol/B3: 4.50879
  Sterimol/B4: 5.48022  Sterimol/L: 14.498 
 
 Surface and Volume Properties
  Accessible surface: 498.715  Positive charged surface: 332.837  Negative charged surface: 165.878  Volume: 275.625
  Hydrophobic surface: 352.347  Hydrophilic surface: 146.368
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.