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PUBCHEM-ZINC03601762

 MMsINC code: MMs03019080
Type: Neutral
Formula: C16H26N2O2
SMILES:   O=C1N(CC(C1)C(=O)N1CCCCC1)C1CCCCC1
InChI:   InChI=1/C16H26N2O2/c19-15-11-13(16(20)17-9-5-2-6-10-17)12-18(15)14-7-3-1-4-8-14/h13-14H,1-12H2/t13-/m1/s1

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Potential Energy
Epot(MMFF94)=20.0873 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.396 g/mol  logS: -1.73623  SlogP: 2.1801  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0645108  Sterimol/B1: 3.11423  Sterimol/B2: 3.41998  Sterimol/B3: 4.07948
  Sterimol/B4: 4.84707  Sterimol/L: 16.0069 
 
 Surface and Volume Properties
  Accessible surface: 518.328  Positive charged surface: 410.66  Negative charged surface: 107.668  Volume: 286.875
  Hydrophobic surface: 470.342  Hydrophilic surface: 47.986
 
 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.