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


PUBCHEM-ZINC01854013

 MMsINC code: MMs02827363
Type: Neutral
Formula: C7H6Cl2O2
SMILES:   Clc1c(OC)c(O)ccc1Cl
InChI:   InChI=1/C7H6Cl2O2/c1-11-7-5(10)3-2-4(8)6(7)9/h2-3,10H,1H3

Download   format file 
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)=44.524 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 193.029 g/mol  logS: -2.54189  SlogP: 2.7076  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0716371  Sterimol/B1: 2.18408  Sterimol/B2: 3.13394  Sterimol/B3: 4.40099
  Sterimol/B4: 4.47478  Sterimol/L: 9.96281 
 
 Surface and Volume Properties
  Accessible surface: 347.883  Positive charged surface: 173.595  Negative charged surface: 174.287  Volume: 155.25
  Hydrophobic surface: 294.395  Hydrophilic surface: 53.488
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.