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ENAMINE-ZINC04515024

 MMsINC code: MMs01544811
Type: Neutral
Formula: C19H33N3O3
SMILES:   O=C1N(CC(=O)N(CC(C)C)CC(C)C)C(=O)NC12CCCCC2C
InChI:   InChI=1/C19H33N3O3/c1-13(2)10-21(11-14(3)4)16(23)12-22-17(24)19(20-18(22)25)9-7-6-8-15(19)5/h13-15H,6-12H2,1-5H3,(H,20,25)/t15-,19-/m0/s1

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Potential Energy
Epot(MMFF94)=43.9387 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 351.491 g/mol  logS: -3.23548  SlogP: 2.6277  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.127382  Sterimol/B1: 2.97136  Sterimol/B2: 3.1441  Sterimol/B3: 5.48869
  Sterimol/B4: 8.12624  Sterimol/L: 14.7316 
 
 Surface and Volume Properties
  Accessible surface: 602.643  Positive charged surface: 440.551  Negative charged surface: 162.092  Volume: 361.375
  Hydrophobic surface: 433.216  Hydrophilic surface: 169.427
 
 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.