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ENAMINE-ZINC03454209

 MMsINC code: MMs01452921
Type: Neutral
Formula: C12H19N3O4
SMILES:   O=C1N(CC(C)C)C(=O)N(CC(=O)NCCC)C1=O
InChI:   InChI=1/C12H19N3O4/c1-4-5-13-9(16)7-15-11(18)10(17)14(12(15)19)6-8(2)3/h8H,4-7H2,1-3H3,(H,13,16)

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Potential Energy
Epot(MMFF94)=-1.37825 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.301 g/mol  logS: -1.74811  SlogP: -0.0406  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0439729  Sterimol/B1: 2.90357  Sterimol/B2: 3.31636  Sterimol/B3: 3.87931
  Sterimol/B4: 5.44524  Sterimol/L: 17.0818 
 
 Surface and Volume Properties
  Accessible surface: 512.847  Positive charged surface: 343.446  Negative charged surface: 169.401  Volume: 254.25
  Hydrophobic surface: 297.781  Hydrophilic surface: 215.066
 
 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.