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ASINEX-ZINC04888410

 MMsINC code: MMs00394947
Type: Neutral
Formula: C19H33N3O2
SMILES:   O=C(NC1CCN(CC1)C(=O)NC1CCCCC1)C1CCCCC1
InChI:   InChI=1/C19H33N3O2/c23-18(15-7-3-1-4-8-15)20-17-11-13-22(14-12-17)19(24)21-16-9-5-2-6-10-16/h15-17H,1-14H2,(H,20,23)(H,21,24)

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Potential Energy
Epot(MMFF94)=-0.468065 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 335.492 g/mol  logS: -3.54895  SlogP: 3.1896  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0417572  Sterimol/B1: 2.97902  Sterimol/B2: 3.41955  Sterimol/B3: 3.44325
  Sterimol/B4: 6.60785  Sterimol/L: 19.4448 
 
 Surface and Volume Properties
  Accessible surface: 632.161  Positive charged surface: 512.322  Negative charged surface: 119.839  Volume: 348.25
  Hydrophobic surface: 568.061  Hydrophilic surface: 64.1
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.