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


APOLLO-ZINC02386501

 MMsINC code: MMs00052041
Type: Neutral
Formula: C7H4FNO4
SMILES:   Fc1cccc([N+](=O)[O-])c1C(O)=O
InChI:   InChI=1/C7H4FNO4/c8-4-2-1-3-5(9(12)13)6(4)7(10)11/h1-3H,(H,10,11)

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)=32.7312 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.11 g/mol  logS: -2.43949  SlogP: 1.4321  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0499931  Sterimol/B1: 2.58748  Sterimol/B2: 3.14549  Sterimol/B3: 4.32028
  Sterimol/B4: 4.91442  Sterimol/L: 9.70753 
 
 Surface and Volume Properties
  Accessible surface: 325.737  Positive charged surface: 122.827  Negative charged surface: 202.91  Volume: 140
  Hydrophobic surface: 169.777  Hydrophilic surface: 155.96
 
 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


MMs00052042
APOLLO-ZINC02386501