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


ASINEX-ZINC00362485

 MMsINC code: MMs00124415
Type: Neutral
Formula: C13H5Cl2FN2O2
SMILES:   Clc1nc(Cl)cc(N2C(=O)c3c(ccc(F)c3)C2=O)c1
InChI:   InChI=1/C13H5Cl2FN2O2/c14-10-4-7(5-11(15)17-10)18-12(19)8-2-1-6(16)3-9(8)13(18)20/h1-5H

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)=49.4345 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 311.099 g/mol  logS: -4.88653  SlogP: 3.3281  Reactive groups: 0
 
 Topological Properties
  Globularity: 5.3272e-07  Sterimol/B1: 2.09796  Sterimol/B2: 2.10124  Sterimol/B3: 3.94199
  Sterimol/B4: 5.42016  Sterimol/L: 13.708 
 
 Surface and Volume Properties
  Accessible surface: 461.833  Positive charged surface: 147.067  Negative charged surface: 314.766  Volume: 236.625
  Hydrophobic surface: 361.571  Hydrophilic surface: 100.262
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.