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PUBCHEM-ZINC05500425

 MMsINC code: MMs03288178
Type: Neutral
Formula: C11H16N2O4
SMILES:   O=C1N(CC(O)CO)C(=O)NC2=C1CCCC2
InChI:   InChI=1/C11H16N2O4/c14-6-7(15)5-13-10(16)8-3-1-2-4-9(8)12-11(13)17/h7,14-15H,1-6H2,(H,12,17)/t7-/m1/s1

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Potential Energy
Epot(MMFF94)=5.53158 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.259 g/mol  logS: -0.84004  SlogP: -0.2805  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0640663  Sterimol/B1: 2.67303  Sterimol/B2: 2.78228  Sterimol/B3: 3.41892
  Sterimol/B4: 5.40152  Sterimol/L: 13.9346 
 
 Surface and Volume Properties
  Accessible surface: 436.257  Positive charged surface: 317.732  Negative charged surface: 118.525  Volume: 217.125
  Hydrophobic surface: 264.876  Hydrophilic surface: 171.381
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.