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ENAMINE-ZINC03454171

 MMsINC code: MMs01452890
Type: Neutral
Formula: C12H19N3O5
SMILES:   O=C1N(CC(C)C)C(=O)N(CC(=O)NCCOC)C1=O
InChI:   InChI=1/C12H19N3O5/c1-8(2)6-14-10(17)11(18)15(12(14)19)7-9(16)13-4-5-20-3/h8H,4-7H2,1-3H3,(H,13,16)

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Potential Energy
Epot(MMFF94)=11.3922 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 285.3 g/mol  logS: -1.36177  SlogP: -0.8042  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0514184  Sterimol/B1: 2.29062  Sterimol/B2: 2.34896  Sterimol/B3: 4.44203
  Sterimol/B4: 6.11748  Sterimol/L: 17.6614 
 
 Surface and Volume Properties
  Accessible surface: 535.774  Positive charged surface: 388.103  Negative charged surface: 147.671  Volume: 262.625
  Hydrophobic surface: 335.889  Hydrophilic surface: 199.885
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.