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


PUBCHEM-ZINC05749389

 MMsINC code: MMs03369932
Type: Neutral
Formula: C6H4Br2O
SMILES:   Brc1ccc(Br)cc1O
InChI:   InChI=1/C6H4Br2O/c7-4-1-2-5(8)6(9)3-4/h1-3,9H

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)=23.635 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 251.905 g/mol  logS: -3.20371  SlogP: 2.9172  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0138938  Sterimol/B1: 2.15826  Sterimol/B2: 2.35257  Sterimol/B3: 3.34083
  Sterimol/B4: 4.57889  Sterimol/L: 9.81 
 
 Surface and Volume Properties
  Accessible surface: 338.777  Positive charged surface: 96.4738  Negative charged surface: 242.304  Volume: 152.25
  Hydrophobic surface: 294.948  Hydrophilic surface: 43.829
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.