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


CHEMBLOCK-ZINC04343105

 MMsINC code: MMs00547817
Type: Neutral
Formula: C19H22N2O2
SMILES:   O(C)c1ccc(cc1)CNCCc1c2cc(OC)ccc2[nH]c1
InChI:   InChI=1/C19H22N2O2/c1-22-16-5-3-14(4-6-16)12-20-10-9-15-13-21-19-8-7-17(23-2)11-18(15)19/h3-8,11,13,20-21H,9-10,12H2,1-2H3

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)=68.6381 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.397 g/mol  logS: -3.34541  SlogP: 3.78377  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0219463  Sterimol/B1: 2.59015  Sterimol/B2: 3.81378  Sterimol/B3: 5.34232
  Sterimol/B4: 5.56487  Sterimol/L: 19.1671 
 
 Surface and Volume Properties
  Accessible surface: 612.862  Positive charged surface: 441.77  Negative charged surface: 166.265  Volume: 318.375
  Hydrophobic surface: 523.643  Hydrophilic surface: 89.219
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00547818
CHEMBLOCK-ZINC04343105