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


OAKWOOD-ZINC02554186

 MMsINC code: MMs02545996
Type: Neutral
Formula: C8H10F2N4
SMILES:   FC(F)c1nc(nc(c1)C1CC1)NN
InChI:   InChI=1/C8H10F2N4/c9-7(10)6-3-5(4-1-2-4)12-8(13-6)14-11/h3-4,7H,1-2,11H2,(H,12,13,14)

Download   format file 
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)=53.1528 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.192 g/mol  logS: -1.85977  SlogP: 1.6727  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0603847  Sterimol/B1: 2.57493  Sterimol/B2: 3.41799  Sterimol/B3: 4.06776
  Sterimol/B4: 4.94137  Sterimol/L: 11.5076 
 
 Surface and Volume Properties
  Accessible surface: 393.243  Positive charged surface: 236.296  Negative charged surface: 156.947  Volume: 173.875
  Hydrophobic surface: 142.839  Hydrophilic surface: 250.404
 
 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:  
   

Ions/Tautomers related molecules: no related molecules available.