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PUBCHEM-ZINC06042776

 MMsINC code: MMs03509418
Type: Neutral
Formula: C20H38N2O2
SMILES:   O=C(N1CCN(CC1)C(=O)C(CCCC)CC)C(CCCC)CC
InChI:   InChI=1/C20H38N2O2/c1-5-9-11-17(7-3)19(23)21-13-15-22(16-14-21)20(24)18(8-4)12-10-6-2/h17-18H,5-16H2,1-4H3/t17-,18-/m1/s1

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Potential Energy
Epot(MMFF94)=61.4756 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 338.536 g/mol  logS: -4.8161  SlogP: 4.09  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.211041  Sterimol/B1: 2.24497  Sterimol/B2: 3.28545  Sterimol/B3: 7.12664
  Sterimol/B4: 8.4445  Sterimol/L: 15.6033 
 
 Surface and Volume Properties
  Accessible surface: 678.142  Positive charged surface: 515.912  Negative charged surface: 162.229  Volume: 377
  Hydrophobic surface: 547.721  Hydrophilic surface: 130.421
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.