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


PUBCHEM-ZINC01258805

 MMsINC code: MMs02792153
Type: Neutral
Formula: C13H10FNO2
SMILES:   Fc1cc(ccc1)-c1ccccc1C(=O)NO
InChI:   InChI=1/C13H10FNO2/c14-10-5-3-4-9(8-10)11-6-1-2-7-12(11)13(16)15-17/h1-8,17H,(H,15,16)

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)=90.9929 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 231.226 g/mol  logS: -4.16175  SlogP: 2.6117  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0930954  Sterimol/B1: 2.52645  Sterimol/B2: 2.89635  Sterimol/B3: 3.51844
  Sterimol/B4: 8.27826  Sterimol/L: 11.7517 
 
 Surface and Volume Properties
  Accessible surface: 422.806  Positive charged surface: 219.728  Negative charged surface: 200.292  Volume: 208.75
  Hydrophobic surface: 321.436  Hydrophilic surface: 101.37
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.