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


CHEMBRIDGE-ZINC01766150

 MMsINC code: MMs00695721
Type: Neutral
Formula: C20H24N2O
SMILES:   Oc1c2c(nc(C)c1CN(CCCC)C)c1c(cc2)cccc1
InChI:   InChI=1/C20H24N2O/c1-4-5-12-22(3)13-18-14(2)21-19-16-9-7-6-8-15(16)10-11-17(19)20(18)23/h6-11H,4-5,12-13H2,1-3H3,(H,21,23)

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)=82.234 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 308.425 g/mol  logS: -4.71839  SlogP: 4.90032  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0600505  Sterimol/B1: 2.24729  Sterimol/B2: 3.78004  Sterimol/B3: 5.02588
  Sterimol/B4: 5.39247  Sterimol/L: 18.4891 
 
 Surface and Volume Properties
  Accessible surface: 578.717  Positive charged surface: 399.926  Negative charged surface: 163.508  Volume: 326.375
  Hydrophobic surface: 505.768  Hydrophilic surface: 72.949
 
 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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs00695722
CHEMBRIDGE-ZINC01766150