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PUBCHEM-ZINC05196248

 MMsINC code: MMs03222979
Type: Neutral
Formula: C8H9N3O3
SMILES:   O=C(N=Nc1ccccc1N(O)O)C
InChI:   InChI=1/C8H9N3O3/c1-6(12)9-10-7-4-2-3-5-8(7)11(13)14/h2-5,13-14H,1H3/b10-9+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=105.691 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 195.178 g/mol  logS: -1.17615  SlogP: 1.9016  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0348535  Sterimol/B1: 2.66836  Sterimol/B2: 3.01458  Sterimol/B3: 4.5149
  Sterimol/B4: 5.05201  Sterimol/L: 11.8778 
 
 Surface and Volume Properties
  Accessible surface: 402.069  Positive charged surface: 221.807  Negative charged surface: 180.262  Volume: 173.125
  Hydrophobic surface: 252.904  Hydrophilic surface: 149.165
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.