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PUBCHEM-ZINC05650559

 MMsINC code: MMs03336858
Type: Neutral
Formula: C5H9N3O4
SMILES:   O(C(=O)CN(N=O)C(=O)N)CC
InChI:   InChI=1/C5H9N3O4/c1-2-12-4(9)3-8(7-11)5(6)10/h2-3H2,1H3,(H2,6,10)

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Potential Energy
Epot(MMFF94)=24.9531 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 175.144 g/mol  logS: -0.87905  SlogP: -0.3884  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.085936  Sterimol/B1: 2.9242  Sterimol/B2: 3.12643  Sterimol/B3: 3.5829
  Sterimol/B4: 4.06988  Sterimol/L: 11.8748 
 
 Surface and Volume Properties
  Accessible surface: 360.729  Positive charged surface: 212.703  Negative charged surface: 148.026  Volume: 145.75
  Hydrophobic surface: 197.958  Hydrophilic surface: 162.771
 
 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.