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ASINEX-ZINC00315305

 MMsINC code: MMs00116969
Type: Neutral
Formula: C11H16N2O4
SMILES:   O=C1NC(=O)NC(C)=C1CC(OCC(C)C)=O
InChI:   InChI=1/C11H16N2O4/c1-6(2)5-17-9(14)4-8-7(3)12-11(16)13-10(8)15/h6H,4-5H2,1-3H3,(H2,12,13,15,16)

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Potential Energy
Epot(MMFF94)=-5.79163 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.259 g/mol  logS: -1.74964  SlogP: 0.6891  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0662723  Sterimol/B1: 2.08598  Sterimol/B2: 2.97353  Sterimol/B3: 3.80637
  Sterimol/B4: 6.2894  Sterimol/L: 14.8977 
 
 Surface and Volume Properties
  Accessible surface: 465.801  Positive charged surface: 304.326  Negative charged surface: 161.474  Volume: 223.125
  Hydrophobic surface: 251.339  Hydrophilic surface: 214.462
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.