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PUBCHEM-ZINC03623708

 MMsINC code: MMs03025126
Type: Neutral
Formula: C14H28N2O
SMILES:   O=C(N1CCN(CC1)C)C(CC(C)(C)C)(C)C
InChI:   InChI=1/C14H28N2O/c1-13(2,3)11-14(4,5)12(17)16-9-7-15(6)8-10-16/h7-11H2,1-6H3

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Potential Energy
Epot(MMFF94)=209.175 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.391 g/mol  logS: -2.3774  SlogP: 2.2228  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.211186  Sterimol/B1: 2.50329  Sterimol/B2: 3.67833  Sterimol/B3: 3.94874
  Sterimol/B4: 6.32796  Sterimol/L: 12.3461 
 
 Surface and Volume Properties
  Accessible surface: 451.109  Positive charged surface: 360.464  Negative charged surface: 90.6449  Volume: 261
  Hydrophobic surface: 361.379  Hydrophilic surface: 89.73
 
 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


MMs03025127
PUBCHEM-ZINC03623708