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


CHEMDIV-ZINC04910234

 MMsINC code: MMs00964246
Type: Neutral
Formula: C26H25N3O2
SMILES:   O(C)c1ccc(cc1)CNC(=O)c1cc(nc2c1cccc2)Nc1ccccc1CC
InChI:   InChI=1/C26H25N3O2/c1-3-19-8-4-6-10-23(19)28-25-16-22(21-9-5-7-11-24(21)29-25)26(30)27-17-18-12-14-20(31-2)15-13-18/h4-16H,3,17H2,1-2H3,(H,27,30)(H,28,29)

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)=113.139 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 411.505 g/mol  logS: -6.5451  SlogP: 5.74577  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.042644  Sterimol/B1: 2.16703  Sterimol/B2: 3.39035  Sterimol/B3: 4.00467
  Sterimol/B4: 12.1706  Sterimol/L: 18.2959 
 
 Surface and Volume Properties
  Accessible surface: 726.322  Positive charged surface: 454.238  Negative charged surface: 266.515  Volume: 411
  Hydrophobic surface: 633.018  Hydrophilic surface: 93.304
 
 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: 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.