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PUBCHEM-ZINC05159315

 MMsINC code: MMs03215172
Type: Neutral
Formula: C9H9N3O4
SMILES:   O=C(N=NC(=O)C)c1cc(N(O)O)ccc1
InChI:   InChI=1/C9H9N3O4/c1-6(13)10-11-9(14)7-3-2-4-8(5-7)12(15)16/h2-5,15-16H,1H3/b11-10+

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Potential Energy
Epot(MMFF94)=68.1979 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 223.188 g/mol  logS: -1.5075  SlogP: 1.4103  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00453135  Sterimol/B1: 2.37494  Sterimol/B2: 2.37517  Sterimol/B3: 3.39327
  Sterimol/B4: 5.20558  Sterimol/L: 15.2223 
 
 Surface and Volume Properties
  Accessible surface: 425.549  Positive charged surface: 215.935  Negative charged surface: 209.615  Volume: 192.125
  Hydrophobic surface: 231.42  Hydrophilic surface: 194.129
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  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.