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


ASINEX-ZINC01363106

 MMsINC code: MMs00247419
Type: Neutral
Formula: C25H26FN3O2
SMILES:   Fc1ccc(cc1)CN1C(=Nc2c(cc(NC(=O)C3CCCCC3)cc2)C1=O)C1CC1
InChI:   InChI=1/C25H26FN3O2/c26-19-10-6-16(7-11-19)15-29-23(17-8-9-17)28-22-13-12-20(14-21(22)25(29)31)27-24(30)18-4-2-1-3-5-18/h6-7,10-14,17-18H,1-5,8-9,15H2,(H,27,30)

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)=83.7612 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 419.5 g/mol  logS: -6.51381  SlogP: 5.7069  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0532362  Sterimol/B1: 3.31583  Sterimol/B2: 3.59503  Sterimol/B3: 4.36099
  Sterimol/B4: 8.20156  Sterimol/L: 18.4401 
 
 Surface and Volume Properties
  Accessible surface: 692.038  Positive charged surface: 442.881  Negative charged surface: 249.157  Volume: 401.25
  Hydrophobic surface: 579.622  Hydrophilic surface: 112.416
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.