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


NANOSIN-ZINC01515882

 MMsINC code: MMs02198605
Type: Neutral
Formula: C15H9N4+
SMILES:   [nH+]1c-2n(c3c1cccc3)C(=Nc1c-2cccc1)C#N
InChI:   InChI=1/C15H8N4/c16-9-14-17-11-6-2-1-5-10(11)15-18-12-7-3-4-8-13(12)19(14)15/h1-8H/p+1

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)=41.5073 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 245.265 g/mol  logS: -5.39767  SlogP: 2.53768  Reactive groups: 0
 
 Topological Properties
  Globularity: 1.7321e-08  Sterimol/B1: 2.09733  Sterimol/B2: 2.09746  Sterimol/B3: 3.05963
  Sterimol/B4: 7.47911  Sterimol/L: 13.6645 
 
 Surface and Volume Properties
  Accessible surface: 441.918  Positive charged surface: 241.553  Negative charged surface: 200.364  Volume: 234.125
  Hydrophobic surface: 308.953  Hydrophilic surface: 132.965
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 2
  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


MMs02198606
NANOSIN-ZINC01515882