logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


ACROSORGANICS-ZINC04262418

MMsINC code: MMs00017501

Type: Neutral
Formula: C6H7N3O2
SMILES:   O=[N+]([O-])c1c(ccnc1N)C
InChI:   InChI=1/C6H7N3O2/c1-4-2-3-8-6(7)5(4)9(10)11/h2-3H,1H3,(H2,7,8)

Download   format file 
Drug Similarity  |  Similarity to PDB ligands  

This browser does not support Java Applets.
Get the latest Java Plug-in here.
download 2D Mol File



download 3D Mol File

Potential Energy
Epot(MMFF94)=41.3467 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 153.141 g/mol  logS: -1.10958  SlogP: 0.88042  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0616252  Sterimol/B1: 2.8593  Sterimol/B2: 2.87014  Sterimol/B3: 3.44454
  Sterimol/B4: 5.68721  Sterimol/L: 9.22245 
 
 Surface and Volume Properties
  Accessible surface: 318.084  Positive charged surface: 177.306  Negative charged surface: 140.778  Volume: 133.125
  Hydrophobic surface: 163.353  Hydrophilic surface: 154.731
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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

  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.