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PUBCHEM-ZINC06040983

 MMsINC code: MMs03508773
Type: Neutral
Formula: C20H38N2O2
SMILES:   O=C(N1CC(N(CC1C)C(=O)CCCCCC)C)CCCCCC
InChI:   InChI=1/C20H38N2O2/c1-5-7-9-11-13-19(23)21-15-18(4)22(16-17(21)3)20(24)14-12-10-8-6-2/h17-18H,5-16H2,1-4H3/t17-,18+

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Potential Energy
Epot(MMFF94)=88.0342 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 338.536 g/mol  logS: -5.06698  SlogP: 4.375  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.017119  Sterimol/B1: 2.92763  Sterimol/B2: 3.38819  Sterimol/B3: 4.94987
  Sterimol/B4: 4.99886  Sterimol/L: 24.3412 
 
 Surface and Volume Properties
  Accessible surface: 709.08  Positive charged surface: 571.737  Negative charged surface: 137.343  Volume: 376.25
  Hydrophobic surface: 591.303  Hydrophilic surface: 117.777
 
 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.