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


CHEMSTAR-ZINC00799345

 MMsINC code: MMs01076514
Type: Neutral
Formula: C26H28N2O2
SMILES:   O=C(Nc1ccc(NC(=O)C(CC)c2ccccc2)cc1)C(CC)c1ccccc1
InChI:   InChI=1/C26H28N2O2/c1-3-23(19-11-7-5-8-12-19)25(29)27-21-15-17-22(18-16-21)28-26(30)24(4-2)20-13-9-6-10-14-20/h5-18,23-24H,3-4H2,1-2H3,(H,27,29)(H,28,30)/t23-,24-/m1/s1

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)=130.448 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 400.522 g/mol  logS: -6.88178  SlogP: 5.9512  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0430399  Sterimol/B1: 3.33679  Sterimol/B2: 3.86078  Sterimol/B3: 4.44808
  Sterimol/B4: 7.64451  Sterimol/L: 17.6937 
 
 Surface and Volume Properties
  Accessible surface: 721.083  Positive charged surface: 440.087  Negative charged surface: 280.996  Volume: 412.375
  Hydrophobic surface: 630.896  Hydrophilic surface: 90.187
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.