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


APOLLO-ZINC02559324

 MMsINC code: MMs00053715
Type: Neutral
Formula: C7H5F2NO3
SMILES:   FC(F)Oc1ccccc1[N+](=O)[O-]
InChI:   InChI=1/C7H5F2NO3/c8-7(9)13-6-4-2-1-3-5(6)10(11)12/h1-4,7H

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)=54.4108 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 189.117 g/mol  logS: -2.30936  SlogP: 2.6161  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.035965  Sterimol/B1: 2.63686  Sterimol/B2: 2.63927  Sterimol/B3: 3.21131
  Sterimol/B4: 6.05707  Sterimol/L: 9.53796 
 
 Surface and Volume Properties
  Accessible surface: 331.075  Positive charged surface: 129.992  Negative charged surface: 201.083  Volume: 140.5
  Hydrophobic surface: 172.606  Hydrophilic surface: 158.469
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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.