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


PUBCHEM-ZINC02170524

 MMsINC code: MMs02879866
Type: Neutral
Formula: C14H9FN2O4
SMILES:   Fc1ccc(cc1)\C=C\c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChI:   InChI=1/C14H9FN2O4/c15-12-6-2-10(3-7-12)1-4-11-5-8-13(16(18)19)9-14(11)17(20)21/h1-9H/b4-1+

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)=96.0861 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.234 g/mol  logS: -5.82105  SlogP: 3.8125  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00493912  Sterimol/B1: 2.46374  Sterimol/B2: 2.50557  Sterimol/B3: 2.54613
  Sterimol/B4: 6.67245  Sterimol/L: 16.0928 
 
 Surface and Volume Properties
  Accessible surface: 480.828  Positive charged surface: 161.269  Negative charged surface: 319.559  Volume: 240.375
  Hydrophobic surface: 328.532  Hydrophilic surface: 152.296
 
 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.