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


PUBCHEM-ZINC02042712

 MMsINC code: MMs02863749
Type: Neutral
Formula: C20H27ClN2O
SMILES:   Clc1cc(ccc1N(C)C)Cc1cc(OC)ccc1N(CC)CC
InChI:   InChI=1/C20H27ClN2O/c1-6-23(7-2)19-11-9-17(24-5)14-16(19)12-15-8-10-20(22(3)4)18(21)13-15/h8-11,13-14H,6-7,12H2,1-5H3

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)=187.364 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 346.902 g/mol  logS: -4.48172  SlogP: 4.85157  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.190606  Sterimol/B1: 2.14064  Sterimol/B2: 3.45417  Sterimol/B3: 5.81503
  Sterimol/B4: 10.5369  Sterimol/L: 14.7707 
 
 Surface and Volume Properties
  Accessible surface: 599.171  Positive charged surface: 437.242  Negative charged surface: 161.929  Volume: 356.875
  Hydrophobic surface: 538.314  Hydrophilic surface: 60.857
 
 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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.