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


NCID-ZINC05607976

 MMsINC code: MMs02480235
Type: Tautomer
Formula: C8H9F2N5
SMILES:   Fc1cc(NC(NC(N)=N)=N)ccc1F
InChI:   InChI=1/C8H9F2N5/c9-5-2-1-4(3-6(5)10)14-8(13)15-7(11)12/h1-3H,(H6,11,12,13,14,15)

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)=-9.86409 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.191 g/mol  logS: -2.75419  SlogP: 0.79454  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0185783  Sterimol/B1: 2.49331  Sterimol/B2: 2.51598  Sterimol/B3: 3.45049
  Sterimol/B4: 4.39722  Sterimol/L: 13.0756 
 
 Surface and Volume Properties
  Accessible surface: 391.202  Positive charged surface: 235.099  Negative charged surface: 156.103  Volume: 176.125
  Hydrophobic surface: 200.279  Hydrophilic surface: 190.923
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 2  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:


MMs02480234
NCID-ZINC05607976