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


CHEMBRIDGE-ZINC04589548

 MMsINC code: MMs00772207
Type: Neutral
Formula: C26H26N2O3
SMILES:   O(C(=O)c1cc(NC(=O)c2ccc(cc2)CN2CCc3c(C2)cccc3)c(cc1)C)C
InChI:   InChI=1/C26H26N2O3/c1-18-7-10-22(26(30)31-2)15-24(18)27-25(29)21-11-8-19(9-12-21)16-28-14-13-20-5-3-4-6-23(20)17-28/h3-12,15H,13-14,16-17H2,1-2H3,(H,27,29)

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)=122.347 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 414.505 g/mol  logS: -5.72029  SlogP: 5.12499  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0432893  Sterimol/B1: 2.42405  Sterimol/B2: 2.98327  Sterimol/B3: 4.81323
  Sterimol/B4: 7.95213  Sterimol/L: 21.3291 
 
 Surface and Volume Properties
  Accessible surface: 730.427  Positive charged surface: 477.375  Negative charged surface: 253.052  Volume: 412.75
  Hydrophobic surface: 651.912  Hydrophilic surface: 78.515
 
 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: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs00772208
CHEMBRIDGE-ZINC04589548