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ENAMINE-ZINC03546521

 MMsINC code: MMs01501126
Type: Neutral
Formula: C16H24N4O5
SMILES:   O=C1N(C2CCCC2)C(=O)N(CC(=O)NC(=O)NCCC(C)C)C1=O
InChI:   InChI=1/C16H24N4O5/c1-10(2)7-8-17-15(24)18-12(21)9-19-13(22)14(23)20(16(19)25)11-5-3-4-6-11/h10-11H,3-9H2,1-2H3,(H2,17,18,21,24)

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Potential Energy
Epot(MMFF94)=9.70479 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 352.391 g/mol  logS: -3.23225  SlogP: 0.5917  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.028981  Sterimol/B1: 2.27887  Sterimol/B2: 3.26065  Sterimol/B3: 4.30009
  Sterimol/B4: 6.25896  Sterimol/L: 20.5274 
 
 Surface and Volume Properties
  Accessible surface: 623.457  Positive charged surface: 422.359  Negative charged surface: 201.099  Volume: 325.125
  Hydrophobic surface: 375.708  Hydrophilic surface: 247.749
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.