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


CHEMBRIDGE-ZINC02497486

 MMsINC code: MMs00711653
Type: Neutral
Formula: C13H19Cl2NO
SMILES:   Clc1ccc(Cl)cc1OCCCN(CC)CC
InChI:   InChI=1/C13H19Cl2NO/c1-3-16(4-2)8-5-9-17-13-10-11(14)6-7-12(13)15/h6-7,10H,3-5,8-9H2,1-2H3

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)=42.6789 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 276.207 g/mol  logS: -3.65792  SlogP: 4.1041  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.053465  Sterimol/B1: 2.93902  Sterimol/B2: 3.27609  Sterimol/B3: 3.7934
  Sterimol/B4: 6.46246  Sterimol/L: 15.1757 
 
 Surface and Volume Properties
  Accessible surface: 534.381  Positive charged surface: 302.003  Negative charged surface: 232.378  Volume: 267.25
  Hydrophobic surface: 489.085  Hydrophilic surface: 45.296
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs00711654
CHEMBRIDGE-ZINC02497486