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


CHEMBRIDGE-ZINC02823113

 MMsINC code: MMs00719710
Type: Neutral
Formula: C15H21Cl2NO2
SMILES:   Clc1ccc(Cl)cc1OCCCN1CC(OC(C1)C)C
InChI:   InChI=1/C15H21Cl2NO2/c1-11-9-18(10-12(2)20-11)6-3-7-19-15-8-13(16)4-5-14(15)17/h4-5,8,11-12H,3,6-7,9-10H2,1-2H3/t11-,12-/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)=73.0416 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 318.244 g/mol  logS: -3.9494  SlogP: 3.8715  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0337027  Sterimol/B1: 2.44643  Sterimol/B2: 3.42031  Sterimol/B3: 3.78098
  Sterimol/B4: 6.64927  Sterimol/L: 17.2052 
 
 Surface and Volume Properties
  Accessible surface: 573.196  Positive charged surface: 337.243  Negative charged surface: 235.954  Volume: 298
  Hydrophobic surface: 518.829  Hydrophilic surface: 54.367
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs00719711
CHEMBRIDGE-ZINC02823113