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PUBCHEM-ZINC05605496

 MMsINC code: MMs03322625
Type: Neutral
Formula: C5H5N5O4
SMILES:   O=C1N=CNC(N=NC=O)=C1N(O)O
InChI:   InChI=1/C5H5N5O4/c11-2-8-9-4-3(10(13)14)5(12)7-1-6-4/h1-2,13-14H,(H,6,7,12)/b9-8+

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Potential Energy
Epot(MMFF94)=55.8413 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 199.126 g/mol  logS: -0.60434  SlogP: -0.9974  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00086309  Sterimol/B1: 2.09902  Sterimol/B2: 2.10832  Sterimol/B3: 2.55645
  Sterimol/B4: 7.19392  Sterimol/L: 11.5292 
 
 Surface and Volume Properties
  Accessible surface: 359.24  Positive charged surface: 225.508  Negative charged surface: 133.732  Volume: 151
  Hydrophobic surface: 58.0232  Hydrophilic surface: 301.2168
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 7  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.