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


ALFAAESAR-ZINC02242717

 MMsINC code: MMs00022879
Type: Neutral
Formula: C7H5FO2
SMILES:   Fc1cccc(C=O)c1O
InChI:   InChI=1/C7H5FO2/c8-6-3-1-2-5(4-9)7(6)10/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)=32.6361 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: 0.0119551  Sterimol/B1: 2.097  Sterimol/B2: 2.27039  Sterimol/B3: 2.71388
  Sterimol/B4: 5.12173  Sterimol/L: 8.92716 
 
 Surface and Volume Properties
  Accessible surface: 293.576  Positive charged surface: 154.774  Negative charged surface: 138.802  Volume: 120.5
  Hydrophobic surface: 189.44  Hydrophilic surface: 104.136
 
 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.