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


MAYBRIDGE-ZINC01034032

 MMsINC code: MMs02150571
Type: Neutral
Formula: C20H16F3N3O3
SMILES:   FC(F)(F)c1cc(Oc2ncc(NC(=O)Nc3cc(OC)ccc3)cc2)ccc1
InChI:   InChI=1/C20H16F3N3O3/c1-28-16-6-3-5-14(11-16)25-19(27)26-15-8-9-18(24-12-15)29-17-7-2-4-13(10-17)20(21,22)23/h2-12H,1H3,(H2,25,26,27)

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)=111.477 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 403.36 g/mol  logS: -5.19481  SlogP: 5.8568  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0328181  Sterimol/B1: 2.5737  Sterimol/B2: 3.91595  Sterimol/B3: 3.93373
  Sterimol/B4: 7.14276  Sterimol/L: 20.0968 
 
 Surface and Volume Properties
  Accessible surface: 662.389  Positive charged surface: 376.463  Negative charged surface: 285.926  Volume: 346.125
  Hydrophobic surface: 482.693  Hydrophilic surface: 179.696
 
 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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.