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


CHEMBRIDGE-ZINC04981066

 MMsINC code: MMs00818391
Type: Neutral
Formula: C26H30N2O
SMILES:   O(Cc1ccccc1)c1ccc(cc1)CN1CCN(CC1)c1cc(ccc1C)C
InChI:   InChI=1/C26H30N2O/c1-21-8-9-22(2)26(18-21)28-16-14-27(15-17-28)19-23-10-12-25(13-11-23)29-20-24-6-4-3-5-7-24/h3-13,18H,14-17,19-20H2,1-2H3

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)=167.598 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.539 g/mol  logS: -5.57959  SlogP: 5.73744  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0546445  Sterimol/B1: 2.23296  Sterimol/B2: 2.77293  Sterimol/B3: 5.39879
  Sterimol/B4: 8.75032  Sterimol/L: 20.7931 
 
 Surface and Volume Properties
  Accessible surface: 724.417  Positive charged surface: 482.844  Negative charged surface: 241.573  Volume: 412
  Hydrophobic surface: 698.006  Hydrophilic surface: 26.411
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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


MMs00818392
CHEMBRIDGE-ZINC04981066