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


PUBCHEM-ZINC03687139

 MMsINC code: MMs03041854
Type: Neutral
Formula: C20H22Cl2N2O
SMILES:   Clc1cc(c2[nH]c(-c3cc(Cl)ccc3OC)c(c2c1)CCCCN)C
InChI:   InChI=1/C20H22Cl2N2O/c1-12-9-14(22)11-16-15(5-3-4-8-23)20(24-19(12)16)17-10-13(21)6-7-18(17)25-2/h6-7,9-11,24H,3-5,8,23H2,1-2H3

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)=57.8244 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 377.315 g/mol  logS: -5.87932  SlogP: 5.74009  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.241065  Sterimol/B1: 4.88289  Sterimol/B2: 5.43778  Sterimol/B3: 6.18917
  Sterimol/B4: 6.62281  Sterimol/L: 14.0975 
 
 Surface and Volume Properties
  Accessible surface: 645.741  Positive charged surface: 381.445  Negative charged surface: 259.985  Volume: 355.625
  Hydrophobic surface: 562.172  Hydrophilic surface: 83.569
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs03041855
PUBCHEM-ZINC03687139