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


CHEMBRIDGE-ZINC00272483

 MMsINC code: MMs00599583
Type: Neutral
Formula: C11H10FN3O2
SMILES:   Fc1nc(nc(Oc2ccc(OC)cc2)c1)N
InChI:   InChI=1/C11H10FN3O2/c1-16-7-2-4-8(5-3-7)17-10-6-9(12)14-11(13)15-10/h2-6H,1H3,(H2,13,14,15)

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)=7.15003 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 235.218 g/mol  logS: -3.36095  SlogP: 1.9988  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0891547  Sterimol/B1: 2.72298  Sterimol/B2: 4.05716  Sterimol/B3: 4.37772
  Sterimol/B4: 4.43677  Sterimol/L: 14.4641 
 
 Surface and Volume Properties
  Accessible surface: 440.46  Positive charged surface: 283.965  Negative charged surface: 156.495  Volume: 206
  Hydrophobic surface: 307.114  Hydrophilic surface: 133.346
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.