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


CHEMBRIDGE-ZINC02903149

 MMsINC code: MMs00739646
Type: Neutral
Formula: C11H15Cl2NO2
SMILES:   Clc1c(OCCCNCCO)cccc1Cl
InChI:   InChI=1/C11H15Cl2NO2/c12-9-3-1-4-10(11(9)13)16-8-2-5-14-6-7-15/h1,3-4,14-15H,2,5-8H2

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)=45.9663 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.152 g/mol  logS: -2.67001  SlogP: 2.3442  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0207921  Sterimol/B1: 2.54846  Sterimol/B2: 2.56775  Sterimol/B3: 2.75483
  Sterimol/B4: 6.48192  Sterimol/L: 16.587 
 
 Surface and Volume Properties
  Accessible surface: 502.358  Positive charged surface: 300.068  Negative charged surface: 202.29  Volume: 237.75
  Hydrophobic surface: 431.506  Hydrophilic surface: 70.852
 
 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


MMs00739647
CHEMBRIDGE-ZINC02903149