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


ACROSORGANICS-ZINC00389682

 MMsINC code: MMs00007193
Type: Neutral
Formula: C6H3F3O
SMILES:   Fc1c(O)cc(F)cc1F
InChI:   InChI=1/C6H3F3O/c7-3-1-4(8)6(9)5(10)2-3/h1-2,10H

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)=19.8136 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 148.083 g/mol  logS: -1.90787  SlogP: 1.8095  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0149423  Sterimol/B1: 2.14613  Sterimol/B2: 2.24864  Sterimol/B3: 2.53292
  Sterimol/B4: 5.18744  Sterimol/L: 8.4505 
 
 Surface and Volume Properties
  Accessible surface: 278.684  Positive charged surface: 116.69  Negative charged surface: 161.994  Volume: 106.625
  Hydrophobic surface: 227.79  Hydrophilic surface: 50.894
 
 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.