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


NCID-ZINC01669665

 MMsINC code: MMs02305715
Type: Neutral
Formula: C6H4Br2O2
SMILES:   Brc1c(O)c(Br)ccc1O
InChI:   InChI=1/C6H4Br2O2/c7-3-1-2-4(9)5(8)6(3)10/h1-2,9-10H

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)=36.9508 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.904 g/mol  logS: -2.84176  SlogP: 2.6228  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0226392  Sterimol/B1: 2.097  Sterimol/B2: 2.60201  Sterimol/B3: 2.9873
  Sterimol/B4: 6.29446  Sterimol/L: 9.61701 
 
 Surface and Volume Properties
  Accessible surface: 343.681  Positive charged surface: 113.078  Negative charged surface: 230.603  Volume: 159.375
  Hydrophobic surface: 264.758  Hydrophilic surface: 78.923
 
 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: no related molecules available.