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


ACROSORGANICS-ZINC00056775

 MMsINC code: MMs00003305
Type: Neutral
Formula: C7H3Cl3O2
SMILES:   Clc1c(cc(Cl)cc1Cl)C(O)=O
InChI:   InChI=1/C7H3Cl3O2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,(H,11,12)

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)=27.0435 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 225.458 g/mol  logS: -3.55715  SlogP: 3.345  Reactive groups: 0
 
 Topological Properties
  Globularity: 2.38222e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09879  Sterimol/B3: 3.78991
  Sterimol/B4: 6.04047  Sterimol/L: 9.84261 
 
 Surface and Volume Properties
  Accessible surface: 351.683  Positive charged surface: 100.74  Negative charged surface: 250.942  Volume: 163.75
  Hydrophobic surface: 265.75  Hydrophilic surface: 85.933
 
 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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs00003306
ACROSORGANICS-ZINC00056775