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


PUBCHEM-ZINC01420576

 MMsINC code: MMs02804399
Type: Neutral
Formula: C7H7FN2
SMILES:   Fc1ccc(cc1)C(N)=N
InChI:   InChI=1/C7H7FN2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H3,9,10)

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)=22.4483 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 138.145 g/mol  logS: -2.13274  SlogP: 1.10977  Reactive groups: 0
 
 Topological Properties
  Globularity: 1.98247e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.0988  Sterimol/B3: 2.47996
  Sterimol/B4: 5.0357  Sterimol/L: 10.1538 
 
 Surface and Volume Properties
  Accessible surface: 297.975  Positive charged surface: 153.965  Negative charged surface: 144.01  Volume: 128.375
  Hydrophobic surface: 187.332  Hydrophilic surface: 110.643
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs02804400
PUBCHEM-ZINC01420576