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ENAMINE-ZINC06590323

 MMsINC code: MMs01681509
Type: Neutral
Formula: C13H22N2O2
SMILES:   O=C(N1CCN(CC12CCCCC2)C(=O)C)C
InChI:   InChI=1/C13H22N2O2/c1-11(16)14-8-9-15(12(2)17)13(10-14)6-4-3-5-7-13/h3-10H2,1-2H3

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Potential Energy
Epot(MMFF94)=131.508 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.331 g/mol  logS: -1.3584  SlogP: 1.3999  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.221221  Sterimol/B1: 3.57208  Sterimol/B2: 3.78324  Sterimol/B3: 4.22977
  Sterimol/B4: 5.46289  Sterimol/L: 11.7627 
 
 Surface and Volume Properties
  Accessible surface: 431.948  Positive charged surface: 319.408  Negative charged surface: 112.54  Volume: 240.875
  Hydrophobic surface: 376.581  Hydrophilic surface: 55.367
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.