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


OAKWOOD-ZINC02559531

 MMsINC code: MMs02546166
Type: Neutral
Formula: C8H9IO2
SMILES:   Ic1cccc(OC)c1OC
InChI:   InChI=1/C8H9IO2/c1-10-7-5-3-4-6(9)8(7)11-2/h3-5H,1-2H3

Download   format file 
Drug Similarity  |  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)=53.6434 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.062 g/mol  logS: -2.47716  SlogP: 2.3084  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0618972  Sterimol/B1: 2.54268  Sterimol/B2: 2.86672  Sterimol/B3: 3.21085
  Sterimol/B4: 5.86354  Sterimol/L: 10.5912 
 
 Surface and Volume Properties
  Accessible surface: 370.023  Positive charged surface: 222.998  Negative charged surface: 147.025  Volume: 174.875
  Hydrophobic surface: 357.023  Hydrophilic surface: 13
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.