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


APOLLO-ZINC02560374

 MMsINC code: MMs00053866
Type: Neutral
Formula: C7H6FNO3
SMILES:   Fc1cc([N+](=O)[O-])c(OC)cc1
InChI:   InChI=1/C7H6FNO3/c1-12-7-3-2-5(8)4-6(7)9(10)11/h2-4H,1H3

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)=48.1806 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 171.127 g/mol  logS: -2.52047  SlogP: 1.7425  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0214418  Sterimol/B1: 2.37358  Sterimol/B2: 2.37651  Sterimol/B3: 4.41297
  Sterimol/B4: 4.85343  Sterimol/L: 9.87696 
 
 Surface and Volume Properties
  Accessible surface: 327.27  Positive charged surface: 165.543  Negative charged surface: 161.727  Volume: 138.625
  Hydrophobic surface: 245.902  Hydrophilic surface: 81.368
 
 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.