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ENAMINE-ZINC03371712

 MMsINC code: MMs01402244
Type: Neutral
Formula: C12H19N3O4
SMILES:   O=C1N(CCCC)C(=O)N(CC(=O)NCCC)C1=O
InChI:   InChI=1/C12H19N3O4/c1-3-5-7-14-10(17)11(18)15(12(14)19)8-9(16)13-6-4-2/h3-8H2,1-2H3,(H,13,16)

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Potential Energy
Epot(MMFF94)=-8.48387 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.301 g/mol  logS: -2.06156  SlogP: 0.1035  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0443803  Sterimol/B1: 2.52223  Sterimol/B2: 2.68266  Sterimol/B3: 4.04879
  Sterimol/B4: 5.8547  Sterimol/L: 18.3575 
 
 Surface and Volume Properties
  Accessible surface: 534.378  Positive charged surface: 364.223  Negative charged surface: 170.155  Volume: 256.625
  Hydrophobic surface: 320.967  Hydrophilic surface: 213.411
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.