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ENAMINE-ZINC05292800

 MMsINC code: MMs01607268
Type: Neutral
Formula: C13H20N4O4
SMILES:   O=C1N(CC(=O)NC(=O)NC(C)C)C(=O)NC12CCCC2
InChI:   InChI=1/C13H20N4O4/c1-8(2)14-11(20)15-9(18)7-17-10(19)13(16-12(17)21)5-3-4-6-13/h8H,3-7H2,1-2H3,(H,16,21)(H2,14,15,18,20)

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Potential Energy
Epot(MMFF94)=2.92079 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.327 g/mol  logS: -2.04593  SlogP: 0.0852  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0602796  Sterimol/B1: 2.18657  Sterimol/B2: 3.96375  Sterimol/B3: 4.4067
  Sterimol/B4: 4.89358  Sterimol/L: 16.794 
 
 Surface and Volume Properties
  Accessible surface: 539.917  Positive charged surface: 371.608  Negative charged surface: 168.309  Volume: 270.25
  Hydrophobic surface: 312.1  Hydrophilic surface: 227.817
 
 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.