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PUBCHEM-ZINC06616037

 MMsINC code: MMs03821278
Type: Neutral
Formula: C19H34N2O2
SMILES:   O=C1N(CC(C1)C(=O)N(CC(C)C)CC(C)C)C1CCCCC1
InChI:   InChI=1/C19H34N2O2/c1-14(2)11-20(12-15(3)4)19(23)16-10-18(22)21(13-16)17-8-6-5-7-9-17/h14-17H,5-13H2,1-4H3/t16-/m1/s1

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Potential Energy
Epot(MMFF94)=40.1167 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 322.493 g/mol  logS: -2.44358  SlogP: 3.3082  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0760677  Sterimol/B1: 2.25819  Sterimol/B2: 3.19546  Sterimol/B3: 4.12621
  Sterimol/B4: 8.99537  Sterimol/L: 15.4033 
 
 Surface and Volume Properties
  Accessible surface: 589.976  Positive charged surface: 448.974  Negative charged surface: 141.002  Volume: 347.25
  Hydrophobic surface: 481.334  Hydrophilic surface: 108.642
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.