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


PUBCHEM-ZINC00284543

 MMsINC code: MMs02650376
Type: Neutral
Formula: C17H20ClNO
SMILES:   Clc1ccc(cc1)C(OCCN(C)C)c1ccccc1
InChI:   InChI=1/C17H20ClNO/c1-19(2)12-13-20-17(14-6-4-3-5-7-14)15-8-10-16(18)11-9-15/h3-11,17H,12-13H2,1-2H3/t17-/m1/s1

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)=72.5461 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 289.806 g/mol  logS: -3.90116  SlogP: 4.1031  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.207472  Sterimol/B1: 2.49959  Sterimol/B2: 5.14092  Sterimol/B3: 5.84529
  Sterimol/B4: 6.8644  Sterimol/L: 12.4926 
 
 Surface and Volume Properties
  Accessible surface: 557.112  Positive charged surface: 358.797  Negative charged surface: 198.315  Volume: 296.125
  Hydrophobic surface: 556.424  Hydrophilic surface: 0.68799999999999
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs02650377
PUBCHEM-ZINC00284543