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ENAMINE-ZINC03505621

 MMsINC code: MMs01479556
Type: Neutral
Formula: C16H25N3O3
SMILES:   O=C1N(CC(=O)N2CCC(CC2)C)C(=O)NC12CCCCC2
InChI:   InChI=1/C16H25N3O3/c1-12-5-9-18(10-6-12)13(20)11-19-14(21)16(17-15(19)22)7-3-2-4-8-16/h12H,2-11H2,1H3,(H,17,22)

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Potential Energy
Epot(MMFF94)=19.8012 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 307.394 g/mol  logS: -2.84158  SlogP: 1.4996  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0697889  Sterimol/B1: 2.42  Sterimol/B2: 3.67716  Sterimol/B3: 3.91694
  Sterimol/B4: 5.49084  Sterimol/L: 16.8439 
 
 Surface and Volume Properties
  Accessible surface: 547.547  Positive charged surface: 404.597  Negative charged surface: 142.95  Volume: 298.25
  Hydrophobic surface: 415.882  Hydrophilic surface: 131.665
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.