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


ASINEX-ZINC04852297

 MMsINC code: MMs00382474
Type: Neutral
Formula: C8H4F3N3O5
SMILES:   FC(F)(F)C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChI:   InChI=1/C8H4F3N3O5/c9-8(10,11)7(15)12-5-2-1-4(13(16)17)3-6(5)14(18)19/h1-3H,(H,12,15)

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)=108.055 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 279.13 g/mol  logS: -4.25042  SlogP: 2.4237  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0260848  Sterimol/B1: 2.48434  Sterimol/B2: 2.5035  Sterimol/B3: 2.60761
  Sterimol/B4: 6.6921  Sterimol/L: 12.6365 
 
 Surface and Volume Properties
  Accessible surface: 405.469  Positive charged surface: 93.8831  Negative charged surface: 311.586  Volume: 186.125
  Hydrophobic surface: 105.62  Hydrophilic surface: 299.849
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.