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


CHEMDIV-ZINC03044962

 MMsINC code: MMs00907447
Type: Neutral
Formula: C26H28N2O2
SMILES:   O(CC)c1ccc(cc1)-c1nc2c(cccc2)c(c1)C(=O)NCCC=1CCCCC=1
InChI:   InChI=1/C26H28N2O2/c1-2-30-21-14-12-20(13-15-21)25-18-23(22-10-6-7-11-24(22)28-25)26(29)27-17-16-19-8-4-3-5-9-19/h6-8,10-15,18H,2-5,9,16-17H2,1H3,(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)=98.1787 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 400.522 g/mol  logS: -6.85967  SlogP: 5.9208  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.027061  Sterimol/B1: 2.50449  Sterimol/B2: 3.5005  Sterimol/B3: 3.63865
  Sterimol/B4: 13.6188  Sterimol/L: 19.0738 
 
 Surface and Volume Properties
  Accessible surface: 740.691  Positive charged surface: 479.738  Negative charged surface: 249.882  Volume: 412.5
  Hydrophobic surface: 641.192  Hydrophilic surface: 99.499
 
 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: no related molecules available.