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


NCID-ZINC04772447

 MMsINC code: MMs02403132
Type: Tautomer
Formula: C6H4FN3
SMILES:   Fc1nc2nc[nH]c2cc1
InChI:   InChI=1/C6H4FN3/c7-5-2-1-4-6(10-5)9-3-8-4/h1-3H,(H,8,9,10)

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)=15.5985 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 137.117 g/mol  logS: -2.38974  SlogP: 1.097  Reactive groups: 0
 
 Topological Properties
  Globularity: 2.71994e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09829  Sterimol/B3: 2.56334
  Sterimol/B4: 4.61866  Sterimol/L: 9.67607 
 
 Surface and Volume Properties
  Accessible surface: 282.034  Positive charged surface: 162.73  Negative charged surface: 119.304  Volume: 114.5
  Hydrophobic surface: 188.541  Hydrophilic surface: 93.493
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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:  
   
Parent related molecule:


MMs02403131
NCID-ZINC04772447