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


ALFAAESAR-ZINC02575068

 MMsINC code: MMs00024062
Type: Neutral
Formula: C7H5F3O
SMILES:   Fc1c(cc(F)cc1F)CO
InChI:   InChI=1/C7H5F3O/c8-5-1-4(3-11)7(10)6(9)2-5/h1-2,11H,3H2

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)=16.1243 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 162.11 g/mol  logS: -2.04084  SlogP: 1.8626  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0238969  Sterimol/B1: 2.37379  Sterimol/B2: 2.37631  Sterimol/B3: 2.96815
  Sterimol/B4: 5.12358  Sterimol/L: 9.72579 
 
 Surface and Volume Properties
  Accessible surface: 305.537  Positive charged surface: 149.519  Negative charged surface: 156.018  Volume: 126.125
  Hydrophobic surface: 249  Hydrophilic surface: 56.537
 
 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.