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ENAMINE-ZINC03454184

 MMsINC code: MMs01452901
Type: Neutral
Formula: C11H17N3O4
SMILES:   O=C1N(CC(C)C)C(=O)N(CC(=O)NCC)C1=O
InChI:   InChI=1/C11H17N3O4/c1-4-12-8(15)6-14-10(17)9(16)13(11(14)18)5-7(2)3/h7H,4-6H2,1-3H3,(H,12,15)

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Potential Energy
Epot(MMFF94)=-1.40534 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 255.274 g/mol  logS: -1.54634  SlogP: -0.4307  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0503099  Sterimol/B1: 3.18355  Sterimol/B2: 3.26027  Sterimol/B3: 3.37806
  Sterimol/B4: 5.25737  Sterimol/L: 15.7888 
 
 Surface and Volume Properties
  Accessible surface: 486.747  Positive charged surface: 323.437  Negative charged surface: 163.31  Volume: 236.5
  Hydrophobic surface: 268.673  Hydrophilic surface: 218.074
 
 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.