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ENAMINE-ZINC03463117

 MMsINC code: MMs01458234
Type: Neutral
Formula: C17H28N4O4
SMILES:   O=C1N(CC(=O)NC(=O)NC(C)(C)C)C(=O)NC12CCCCCCC2
InChI:   InChI=1/C17H28N4O4/c1-16(2,3)19-14(24)18-12(22)11-21-13(23)17(20-15(21)25)9-7-5-4-6-8-10-17/h4-11H2,1-3H3,(H,20,25)(H2,18,19,22,24)

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Potential Energy
Epot(MMFF94)=90.6965 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 352.435 g/mol  logS: -3.9188  SlogP: 1.6456  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0717102  Sterimol/B1: 2.5786  Sterimol/B2: 3.58695  Sterimol/B3: 5.09423
  Sterimol/B4: 5.54083  Sterimol/L: 17.8065 
 
 Surface and Volume Properties
  Accessible surface: 598.621  Positive charged surface: 419.526  Negative charged surface: 179.095  Volume: 333.625
  Hydrophobic surface: 383.184  Hydrophilic surface: 215.437
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.