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ASINEX-ZINC04981805

 MMsINC code: MMs00421394
Type: Neutral
Formula: C19H33N3O3
SMILES:   OC1CCN(CC1)C(=O)C1(NC(=O)NC2CCCCC2)CCCCC1
InChI:   InChI=1/C19H33N3O3/c23-16-9-13-22(14-10-16)17(24)19(11-5-2-6-12-19)21-18(25)20-15-7-3-1-4-8-15/h15-16,23H,1-14H2,(H2,20,21,25)

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Potential Energy
Epot(MMFF94)=50.0865 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 351.491 g/mol  logS: -2.96303  SlogP: 2.3045  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.14632  Sterimol/B1: 3.72207  Sterimol/B2: 4.39426  Sterimol/B3: 4.98355
  Sterimol/B4: 7.40924  Sterimol/L: 13.7209 
 
 Surface and Volume Properties
  Accessible surface: 595.603  Positive charged surface: 467.635  Negative charged surface: 127.968  Volume: 354.875
  Hydrophobic surface: 494.698  Hydrophilic surface: 100.905
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.