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PUBCHEM-ZINC04891713

 MMsINC code: MMs03182009
Type: Neutral
Formula: C19H33N3O2
SMILES:   O=C(NC1CCCCC1C)C1N(CCC1)C(=O)NC1CCCCC1
InChI:   InChI=1/C19H33N3O2/c1-14-8-5-6-11-16(14)21-18(23)17-12-7-13-22(17)19(24)20-15-9-3-2-4-10-15/h14-17H,2-13H2,1H3,(H,20,24)(H,21,23)/t14-,16+,17-/m0/s1

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Potential Energy
Epot(MMFF94)=34.3482 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 335.492 g/mol  logS: -3.36734  SlogP: 3.188  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0832651  Sterimol/B1: 2.10547  Sterimol/B2: 2.1739  Sterimol/B3: 5.49593
  Sterimol/B4: 8.82683  Sterimol/L: 16.6791 
 
 Surface and Volume Properties
  Accessible surface: 622.364  Positive charged surface: 496.695  Negative charged surface: 125.668  Volume: 349
  Hydrophobic surface: 564.443  Hydrophilic surface: 57.921
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.