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


PUBCHEM-ZINC03677069

 MMsINC code: MMs03039181
Type: Neutral
Formula: C10H11Cl2NO2
SMILES:   Clc1ccc(Cl)cc1C(N)(CC)C(O)=O
InChI:   InChI=1/C10H11Cl2NO2/c1-2-10(13,9(14)15)7-5-6(11)3-4-8(7)12/h3-5H,2,13H2,1H3,(H,14,15)/t10-/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)=63.1866 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 248.109 g/mol  logS: -3.0432  SlogP: 2.9535  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.145061  Sterimol/B1: 3.43416  Sterimol/B2: 3.69725  Sterimol/B3: 3.80237
  Sterimol/B4: 5.86383  Sterimol/L: 10.9341 
 
 Surface and Volume Properties
  Accessible surface: 411.22  Positive charged surface: 186.626  Negative charged surface: 224.594  Volume: 207.25
  Hydrophobic surface: 285.839  Hydrophilic surface: 125.381
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs03039182
PUBCHEM-ZINC03677069