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PUBCHEM-ZINC05526258

 MMsINC code: MMs03297558
Type: Neutral
Formula: C16H28N2O4
SMILES:   O1CCN(CC1)CC(=O)NC(CC1CCCCC1)C(OC)=O
InChI:   InChI=1/C16H28N2O4/c1-21-16(20)14(11-13-5-3-2-4-6-13)17-15(19)12-18-7-9-22-10-8-18/h13-14H,2-12H2,1H3,(H,17,19)/t14-/m1/s1

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Potential Energy
Epot(MMFF94)=86.2745 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 312.41 g/mol  logS: -3.36369  SlogP: 0.9468  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.118698  Sterimol/B1: 1.97098  Sterimol/B2: 3.15612  Sterimol/B3: 4.29677
  Sterimol/B4: 10.4835  Sterimol/L: 14.7768 
 
 Surface and Volume Properties
  Accessible surface: 591.087  Positive charged surface: 498.165  Negative charged surface: 92.9224  Volume: 313.625
  Hydrophobic surface: 516.385  Hydrophilic surface: 74.702
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.