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


PUBCHEM-ZINC05514714

 MMsINC code: MMs03294187
Type: Neutral
Formula: C22H26F2N2O2
SMILES:   Fc1ccccc1C(=O)NCCCCCCCCNC(=O)c1ccccc1F
InChI:   InChI=1/C22H26F2N2O2/c23-19-13-7-5-11-17(19)21(27)25-15-9-3-1-2-4-10-16-26-22(28)18-12-6-8-14-20(18)24/h5-8,11-14H,1-4,9-10,15-16H2,(H,25,27)(H,26,28)

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)=51.4173 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.458 g/mol  logS: -5.89896  SlogP: 4.4652  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00507617  Sterimol/B1: 2.37469  Sterimol/B2: 2.37794  Sterimol/B3: 2.56394
  Sterimol/B4: 5.94461  Sterimol/L: 25.819 
 
 Surface and Volume Properties
  Accessible surface: 727.278  Positive charged surface: 452.012  Negative charged surface: 275.266  Volume: 382.5
  Hydrophobic surface: 648.429  Hydrophilic surface: 78.849
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.