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


PUBCHEM-ZINC00715471

 MMsINC code: MMs02732513
Type: Neutral
Formula: C14H7Cl2F3N2O3
SMILES:   Clc1ccc(NC(=O)c2cc(Cl)c([N+](=O)[O-])cc2)cc1C(F)(F)F
InChI:   InChI=1/C14H7Cl2F3N2O3/c15-10-3-2-8(6-9(10)14(17,18)19)20-13(22)7-1-4-12(21(23)24)11(16)5-7/h1-6H,(H,20,22)

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)=95.6924 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 379.121 g/mol  logS: -6.67023  SlogP: 5.4842  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0189498  Sterimol/B1: 2.72541  Sterimol/B2: 2.90877  Sterimol/B3: 3.25513
  Sterimol/B4: 6.19179  Sterimol/L: 16.9063 
 
 Surface and Volume Properties
  Accessible surface: 527.21  Positive charged surface: 142.572  Negative charged surface: 384.638  Volume: 274.375
  Hydrophobic surface: 324.407  Hydrophilic surface: 202.803
 
 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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.