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


CHEMBRIDGE-ZINC01227038

 MMsINC code: MMs00690905
Type: Tautomer
Formula: C24H24N2
SMILES:   n1(c2c(cc(cc2)CN2CCc3c(C2)cccc3)c2c1cccc2)CC
InChI:   InChI=1/C24H24N2/c1-2-26-23-10-6-5-9-21(23)22-15-18(11-12-24(22)26)16-25-14-13-19-7-3-4-8-20(19)17-25/h3-12,15H,2,13-14,16-17H2,1H3

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)=78.8946 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.47 g/mol  logS: -5.5659  SlogP: 6.17187  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.145308  Sterimol/B1: 2.08938  Sterimol/B2: 3.55294  Sterimol/B3: 6.75097
  Sterimol/B4: 6.75511  Sterimol/L: 15.4012 
 
 Surface and Volume Properties
  Accessible surface: 625.876  Positive charged surface: 388.686  Negative charged surface: 226.566  Volume: 357.625
  Hydrophobic surface: 594.787  Hydrophilic surface: 31.089
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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: 0
  search links for this molecule:  
   
Parent related molecule:


MMs00690904
CHEMBRIDGE-ZINC01227038