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


PUBCHEM-ZINC04210490

 MMsINC code: MMs03100879
Type: Neutral
Formula: C23H23F6N3O3
SMILES:   FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)Nc1cc(C(=O)NCCOC)c(N2CCCC2)
cc1
InChI:   InChI=1/C23H23F6N3O3/c1-35-9-6-30-21(34)18-13-17(4-5-19(18)32-7-2-3-8-32)31-20(33)14-10-15(22(24,25)26)12-16(11-14)23(27,28)29/h4-5,10-13H,2-3,6-9H2,1H3,(H,30,34)(H,31,33)

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)=189.243 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 503.443 g/mol  logS: -6.23653  SlogP: 5.5759  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0465159  Sterimol/B1: 2.2717  Sterimol/B2: 3.4331  Sterimol/B3: 3.94576
  Sterimol/B4: 12.3547  Sterimol/L: 17.3365 
 
 Surface and Volume Properties
  Accessible surface: 756.983  Positive charged surface: 427.135  Negative charged surface: 329.847  Volume: 416.125
  Hydrophobic surface: 463.487  Hydrophilic surface: 293.496
 
 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: 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.