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


COMGENEX-ZINC06723523

 MMsINC code: MMs01194236
Type: Neutral
Formula: C24H26FN3O
SMILES:   Fc1ccc(cc1)C(=O)N(Cc1nccn1Cc1c(cc(cc1C)C)C)CC=C
InChI:   InChI=1/C24H26FN3O/c1-5-11-28(24(29)20-6-8-21(25)9-7-20)16-23-26-10-12-27(23)15-22-18(3)13-17(2)14-19(22)4/h5-10,12-14H,1,11,15-16H2,2-4H3

Download   format file 
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)=143.489 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 391.49 g/mol  logS: -5.50384  SlogP: 5.35696  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0764338  Sterimol/B1: 4.13983  Sterimol/B2: 4.37418  Sterimol/B3: 4.49729
  Sterimol/B4: 6.37165  Sterimol/L: 16.696 
 
 Surface and Volume Properties
  Accessible surface: 644.266  Positive charged surface: 384.358  Negative charged surface: 259.908  Volume: 392.375
  Hydrophobic surface: 544.482  Hydrophilic surface: 99.784
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.