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PUBCHEM-ZINC04809443

 MMsINC code: MMs03173948
Type: Neutral
Formula: C8H8N2O4
SMILES:   O=C(NO)c1ccc(cc1)C(=O)NO
InChI:   InChI=1/C8H8N2O4/c11-7(9-13)5-1-2-6(4-3-5)8(12)10-14/h1-4,13-14H,(H,9,11)(H,10,12)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=90.6284 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 196.162 g/mol  logS: -1.4959  SlogP: -0.0754  Reactive groups: 0
 
 Topological Properties
  Globularity: 1.15063e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09956  Sterimol/B3: 2.42008
  Sterimol/B4: 4.83778  Sterimol/L: 13.472 
 
 Surface and Volume Properties
  Accessible surface: 370.446  Positive charged surface: 187.098  Negative charged surface: 183.348  Volume: 166.125
  Hydrophobic surface: 129.387  Hydrophilic surface: 241.059
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.