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ALFAAESAR-ZINC01686685

 MMsINC code: MMs00021839
Type: Neutral
Formula: C5H6N2O4
SMILES:   OC(=O)\C=C\C(=O)NC(=O)N
InChI:   InChI=1/C5H6N2O4/c6-5(11)7-3(8)1-2-4(9)10/h1-2H,(H,9,10)(H3,6,7,8,11)/b2-1-

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Potential Energy
Epot(MMFF94)=8.75292 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 158.113 g/mol  logS: -0.59929  SlogP: -1.1779  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0149911  Sterimol/B1: 2.2368  Sterimol/B2: 2.50295  Sterimol/B3: 2.62572
  Sterimol/B4: 4.63695  Sterimol/L: 11.3114 
 
 Surface and Volume Properties
  Accessible surface: 326.157  Positive charged surface: 192.489  Negative charged surface: 133.668  Volume: 126.25
  Hydrophobic surface: 76.1956  Hydrophilic surface: 249.9614
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.