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ENAMINE-ZINC05342205

 MMsINC code: MMs01608071
Type: Neutral
Formula: C16H29N3O3
SMILES:   O=C1N(CC(=O)NCC(C)C)C(=O)NC1(CCCCCC)C
InChI:   InChI=1/C16H29N3O3/c1-5-6-7-8-9-16(4)14(21)19(15(22)18-16)11-13(20)17-10-12(2)3/h12H,5-11H2,1-4H3,(H,17,20)(H,18,22)/t16-/m0/s1

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Potential Energy
Epot(MMFF94)=12.44 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 311.426 g/mol  logS: -3.85488  SlogP: 2.0395  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0427306  Sterimol/B1: 2.39881  Sterimol/B2: 3.88172  Sterimol/B3: 4.10237
  Sterimol/B4: 7.63276  Sterimol/L: 19.0711 
 
 Surface and Volume Properties
  Accessible surface: 623.274  Positive charged surface: 448.788  Negative charged surface: 174.486  Volume: 325.25
  Hydrophobic surface: 414.427  Hydrophilic surface: 208.847
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.