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PUBCHEM-ZINC05605518

 MMsINC code: MMs03322633
Type: Neutral
Formula: C5H6N6O4
SMILES:   O=C(N=NC(=O)N)c1[nH]cnc1N(O)O
InChI:   InChI=1/C5H6N6O4/c6-5(13)10-9-4(12)2-3(11(14)15)8-1-7-2/h1,14-15H,(H2,6,13)(H,7,8)/b10-9+

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Potential Energy
Epot(MMFF94)=74.6538 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.141 g/mol  logS: -0.51575  SlogP: -0.3344  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0237722  Sterimol/B1: 2.50772  Sterimol/B2: 2.79112  Sterimol/B3: 2.87611
  Sterimol/B4: 6.25201  Sterimol/L: 12.7126 
 
 Surface and Volume Properties
  Accessible surface: 389.712  Positive charged surface: 239.537  Negative charged surface: 150.175  Volume: 160.375
  Hydrophobic surface: 64.5093  Hydrophilic surface: 325.2027
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 8  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.