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


SIAL-ZINC00401991

 MMsINC code: MMs03912580
Type: Neutral
Formula: C13H7Cl2F2NO2
SMILES:   Clc1cc(OC(=O)Nc2cc(F)ccc2F)ccc1Cl
InChI:   InChI=1/C13H7Cl2F2NO2/c14-9-3-2-8(6-10(9)15)20-13(19)18-12-5-7(16)1-4-11(12)17/h1-6H,(H,18,19)

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)=61.997 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 318.106 g/mol  logS: -5.45466  SlogP: 4.8825  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0799611  Sterimol/B1: 2.82089  Sterimol/B2: 3.49456  Sterimol/B3: 4.93649
  Sterimol/B4: 5.3394  Sterimol/L: 15.3879 
 
 Surface and Volume Properties
  Accessible surface: 497.001  Positive charged surface: 187.127  Negative charged surface: 309.874  Volume: 243.875
  Hydrophobic surface: 447.074  Hydrophilic surface: 49.927
 
 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.