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ENAMINE-ZINC03463227

 MMsINC code: MMs01458263
Type: Neutral
Formula: C17H29N3O3
SMILES:   O=C1N(CC(=O)NC(CC)CC)C(=O)NC12CCCCCCC2
InChI:   InChI=1/C17H29N3O3/c1-3-13(4-2)18-14(21)12-20-15(22)17(19-16(20)23)10-8-6-5-7-9-11-17/h13H,3-12H2,1-2H3,(H,18,21)(H,19,23)

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Potential Energy
Epot(MMFF94)=91.8863 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 323.437 g/mol  logS: -3.7666  SlogP: 2.3261  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.089749  Sterimol/B1: 3.56184  Sterimol/B2: 3.76662  Sterimol/B3: 4.59531
  Sterimol/B4: 6.34276  Sterimol/L: 16.277 
 
 Surface and Volume Properties
  Accessible surface: 569.183  Positive charged surface: 414.765  Negative charged surface: 154.417  Volume: 324.125
  Hydrophobic surface: 420.787  Hydrophilic surface: 148.396
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.