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CHEMBRIDGE-ZINC04892736

 MMsINC code: MMs00809070
Type: Neutral
Formula: C19H34N2O2
SMILES:   O=C(N1CC(CC(C1)C)C)CCCC(=O)N1CC(CC(C1)C)C
InChI:   InChI=1/C19H34N2O2/c1-14-8-15(2)11-20(10-14)18(22)6-5-7-19(23)21-12-16(3)9-17(4)13-21/h14-17H,5-13H2,1-4H3/t14-,15+,16-,17+

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Potential Energy
Epot(MMFF94)=35.0754 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 322.493 g/mol  logS: -2.00469  SlogP: 3.1657  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0265099  Sterimol/B1: 2.03159  Sterimol/B2: 2.83159  Sterimol/B3: 3.56597
  Sterimol/B4: 7.09493  Sterimol/L: 18.8992 
 
 Surface and Volume Properties
  Accessible surface: 641.331  Positive charged surface: 503.238  Negative charged surface: 138.093  Volume: 348.875
  Hydrophobic surface: 496.195  Hydrophilic surface: 145.136
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.