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


CHEMBRIDGE-ZINC02735186

 MMsINC code: MMs00714297
Type: Neutral
Formula: C20H26N2
SMILES:   N1(CCN(CC1)Cc1ccc(cc1)C)Cc1ccccc1C
InChI:   InChI=1/C20H26N2/c1-17-7-9-19(10-8-17)15-21-11-13-22(14-12-21)16-20-6-4-3-5-18(20)2/h3-10H,11-16H2,1-2H3

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)=92.5626 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.442 g/mol  logS: -4.0188  SlogP: 4.15404  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0832629  Sterimol/B1: 3.29252  Sterimol/B2: 3.53589  Sterimol/B3: 3.80051
  Sterimol/B4: 7.04235  Sterimol/L: 16.0273 
 
 Surface and Volume Properties
  Accessible surface: 581.043  Positive charged surface: 403.211  Negative charged surface: 177.832  Volume: 323.75
  Hydrophobic surface: 567.706  Hydrophilic surface: 13.337
 
 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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs00714298
CHEMBRIDGE-ZINC02735186