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


CHEMBLOCK-ZINC04343483

 MMsINC code: MMs00548088
Type: Neutral
Formula: C9H9N3
SMILES:   n1c2c(ccc1)c(NN)ccc2
InChI:   InChI=1/C9H9N3/c10-12-9-5-1-4-8-7(9)3-2-6-11-8/h1-6,12H,10H2

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)=65.517 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 159.192 g/mol  logS: -1.67423  SlogP: 1.5204  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00482759  Sterimol/B1: 2.12433  Sterimol/B2: 2.18045  Sterimol/B3: 2.44853
  Sterimol/B4: 6.17274  Sterimol/L: 10.8505 
 
 Surface and Volume Properties
  Accessible surface: 340.819  Positive charged surface: 215.941  Negative charged surface: 119.343  Volume: 156.5
  Hydrophobic surface: 237.16  Hydrophilic surface: 103.659
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.