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PUBCHEM-ZINC00744957

 MMsINC code: MMs02736098
Type: Neutral
Formula: C19H33N3O3
SMILES:   O=C(N1CCN(CC1)C(=O)C(NC(=O)C)C(CC)C)C1CCCCC1
InChI:   InChI=1/C19H33N3O3/c1-4-14(2)17(20-15(3)23)19(25)22-12-10-21(11-13-22)18(24)16-8-6-5-7-9-16/h14,16-17H,4-13H2,1-3H3,(H,20,23)/t14-,17+/m0/s1

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Potential Energy
Epot(MMFF94)=85.854 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 351.491 g/mol  logS: -3.15296  SlogP: 1.7883  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0779199  Sterimol/B1: 2.24304  Sterimol/B2: 3.79183  Sterimol/B3: 4.56451
  Sterimol/B4: 6.703  Sterimol/L: 18.3944 
 
 Surface and Volume Properties
  Accessible surface: 614.575  Positive charged surface: 458.761  Negative charged surface: 155.814  Volume: 361.25
  Hydrophobic surface: 499.646  Hydrophilic surface: 114.929
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.