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


NCID-ZINC01757401

 MMsINC code: MMs02365387
Type: Neutral
Formula: C6H4Br2O2
SMILES:   Brc1cc(O)cc(Br)c1O
InChI:   InChI=1/C6H4Br2O2/c7-4-1-3(9)2-5(8)6(4)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)=29.0131 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: 0.027337  Sterimol/B1: 2.16045  Sterimol/B2: 2.19917  Sterimol/B3: 3.80418
  Sterimol/B4: 6.2064  Sterimol/L: 9.04725 
 
 Surface and Volume Properties
  Accessible surface: 349.411  Positive charged surface: 111.219  Negative charged surface: 238.192  Volume: 160.625
  Hydrophobic surface: 262.251  Hydrophilic surface: 87.16
 
 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.