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ENAMINE-ZINC03454231

 MMsINC code: MMs01452938
Type: Neutral
Formula: C11H16N4O5
SMILES:   O=C1N(CC(C)C)C(=O)N(CC(=O)NC(=O)NC)C1=O
InChI:   InChI=1/C11H16N4O5/c1-6(2)4-14-8(17)9(18)15(11(14)20)5-7(16)13-10(19)12-3/h6H,4-5H2,1-3H3,(H2,12,13,16,19)

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Potential Energy
Epot(MMFF94)=-10.5658 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.272 g/mol  logS: -1.44766  SlogP: -1.1112  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0659936  Sterimol/B1: 2.34919  Sterimol/B2: 2.45735  Sterimol/B3: 4.45821
  Sterimol/B4: 6.03636  Sterimol/L: 17.0263 
 
 Surface and Volume Properties
  Accessible surface: 509.926  Positive charged surface: 346.344  Negative charged surface: 163.582  Volume: 249.5
  Hydrophobic surface: 252.489  Hydrophilic surface: 257.437
 
 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.