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


MAYBRIDGE-ZINC00151898

 MMsINC code: MMs02141936
Type: Neutral
Formula: C15H14FN2+
SMILES:   Fc1ccc(cc1)-c1[nH+]c2n(c1)C=CC(=C2)CC
InChI:   InChI=1/C15H13FN2/c1-2-11-7-8-18-10-14(17-15(18)9-11)12-3-5-13(16)6-4-12/h3-10H,2H2,1H3/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)=42.1235 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 241.289 g/mol  logS: -4.12711  SlogP: 3.386  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0236055  Sterimol/B1: 2.14215  Sterimol/B2: 3.22324  Sterimol/B3: 3.42667
  Sterimol/B4: 5.15197  Sterimol/L: 16.1941 
 
 Surface and Volume Properties
  Accessible surface: 474.573  Positive charged surface: 311.958  Negative charged surface: 162.615  Volume: 239.25
  Hydrophobic surface: 383.17  Hydrophilic surface: 91.403
 
 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


MMs02141937
MAYBRIDGE-ZINC00151898