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


ALFAAESAR-ZINC02572869

 MMsINC code: MMs00024008
Type: Neutral
Formula: C7H5FO2
SMILES:   Fc1cc(C=O)c(O)cc1
InChI:   InChI=1/C7H5FO2/c8-6-1-2-7(10)5(3-6)4-9/h1-4,10H

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)=25.1957 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 140.113 g/mol  logS: -1.32402  SlogP: 1.3438  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0117927  Sterimol/B1: 2.16493  Sterimol/B2: 2.20036  Sterimol/B3: 3.50653
  Sterimol/B4: 4.22766  Sterimol/L: 8.87552 
 
 Surface and Volume Properties
  Accessible surface: 291.965  Positive charged surface: 154.17  Negative charged surface: 137.795  Volume: 121.125
  Hydrophobic surface: 186.767  Hydrophilic surface: 105.198
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.