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


ACROSORGANICS-ZINC00164410

 MMsINC code: MMs00006135
Type: Neutral
Formula: C6H4F2O
SMILES:   Fc1cc(F)ccc1O
InChI:   InChI=1/C6H4F2O/c7-4-1-2-6(9)5(8)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)=19.4514 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 130.093 g/mol  logS: -1.61289  SlogP: 1.6704  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0147935  Sterimol/B1: 2.14999  Sterimol/B2: 2.24111  Sterimol/B3: 2.51071
  Sterimol/B4: 4.96779  Sterimol/L: 8.73474 
 
 Surface and Volume Properties
  Accessible surface: 271.125  Positive charged surface: 126.291  Negative charged surface: 144.834  Volume: 104.75
  Hydrophobic surface: 220.592  Hydrophilic surface: 50.533
 
 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.