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


PUBCHEM-ZINC04157658

 MMsINC code: MMs03094730
Type: Neutral
Formula: C26H21F6N3O
SMILES:   FC(F)(F)c1cc(ccc1)C(CC(=O)NCc1cc(ccc1)C(F)(F)F)c1n2c(nc1)C(=
CC=C2)C
InChI:   InChI=1/C26H21F6N3O/c1-16-5-4-10-35-22(15-34-24(16)35)21(18-7-3-9-20(12-18)26(30,31)32)13-23(36)33-14-17-6-2-8-19(11-17)25(27,28)29/h2-12,15,21H,13-14H2,1H3,(H,33,36)/t21-/m0/s1

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)=103.497 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 505.462 g/mol  logS: -6.39857  SlogP: 7.5361  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.097814  Sterimol/B1: 2.37857  Sterimol/B2: 3.48451  Sterimol/B3: 5.50423
  Sterimol/B4: 10.868  Sterimol/L: 18.8738 
 
 Surface and Volume Properties
  Accessible surface: 759.889  Positive charged surface: 351.318  Negative charged surface: 408.571  Volume: 430.25
  Hydrophobic surface: 500.769  Hydrophilic surface: 259.12
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.