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


CHEMDIV-ZINC00294850

 MMsINC code: MMs00849209
Type: Neutral
Formula: C20H14FN3O2
SMILES:   Fc1cc(ccc1)C(=O)Nc1cccc(-c2oc3cccnc3n2)c1C
InChI:   InChI=1/C20H14FN3O2/c1-12-15(20-24-18-17(26-20)9-4-10-22-18)7-3-8-16(12)23-19(25)13-5-2-6-14(21)11-13/h2-11H,1H3,(H,23,25)

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)=100.218 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 347.349 g/mol  logS: -7.57747  SlogP: 4.58962  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0200121  Sterimol/B1: 2.76426  Sterimol/B2: 3.21321  Sterimol/B3: 3.99313
  Sterimol/B4: 6.80992  Sterimol/L: 18.537 
 
 Surface and Volume Properties
  Accessible surface: 578.64  Positive charged surface: 319.473  Negative charged surface: 259.167  Volume: 315.25
  Hydrophobic surface: 491.691  Hydrophilic surface: 86.949
 
 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.