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PUBCHEM-ZINC01447077

 MMsINC code: MMs02806514
Type: Neutral
Formula: C16H28N2O3
SMILES:   O1CCN(CC1)C(=O)C(NC(=O)C1CCCCC1)C(C)C
InChI:   InChI=1/C16H28N2O3/c1-12(2)14(16(20)18-8-10-21-11-9-18)17-15(19)13-6-4-3-5-7-13/h12-14H,3-11H2,1-2H3,(H,17,19)/t14-/m1/s1

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Potential Energy
Epot(MMFF94)=72.3522 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.411 g/mol  logS: -2.70644  SlogP: 1.5663  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.104082  Sterimol/B1: 2.49363  Sterimol/B2: 3.8163  Sterimol/B3: 3.96928
  Sterimol/B4: 6.65468  Sterimol/L: 15.3645 
 
 Surface and Volume Properties
  Accessible surface: 543.327  Positive charged surface: 424.384  Negative charged surface: 118.943  Volume: 304.625
  Hydrophobic surface: 451.404  Hydrophilic surface: 91.923
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.