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


ACROSORGANICS-ZINC03860343

 MMsINC code: MMs00015364
Type: Neutral
Formula: C7H6Br2O
SMILES:   Brc1cc(cc(Br)c1O)C
InChI:   InChI=1/C7H6Br2O/c1-4-2-5(8)7(10)6(9)3-4/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)=31.5169 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.932 g/mol  logS: -3.67763  SlogP: 3.22562  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0312629  Sterimol/B1: 2.02795  Sterimol/B2: 2.49422  Sterimol/B3: 5.00602
  Sterimol/B4: 5.00732  Sterimol/L: 9.37566 
 
 Surface and Volume Properties
  Accessible surface: 362.111  Positive charged surface: 119.811  Negative charged surface: 242.3  Volume: 169.875
  Hydrophobic surface: 328.136  Hydrophilic surface: 33.975
 
 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.