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


CHEMBRIDGE-ZINC00138892

 MMsINC code: MMs00590942
Type: Neutral
Formula: C19H15N2+
SMILES:   [nH+]1c2c([nH]c1-c1ccc(cc1)-c1ccccc1)cccc2
InChI:   InChI=1/C19H14N2/c1-2-6-14(7-3-1)15-10-12-16(13-11-15)19-20-17-8-4-5-9-18(17)21-19/h1-13H,(H,20,21)/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)=61.8808 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 271.343 g/mol  logS: -6.89223  SlogP: 4.316  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0135255  Sterimol/B1: 2.68081  Sterimol/B2: 2.69238  Sterimol/B3: 4.00996
  Sterimol/B4: 4.01319  Sterimol/L: 18.0619 
 
 Surface and Volume Properties
  Accessible surface: 525.011  Positive charged surface: 308.193  Negative charged surface: 212.813  Volume: 281.875
  Hydrophobic surface: 461.624  Hydrophilic surface: 63.387
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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


MMs00590943
CHEMBRIDGE-ZINC00138892