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


CHEMDIV-ZINC07005193

 MMsINC code: MMs01070659
Type: Neutral
Formula: C18H16ClFN2O3S
SMILES:   Clc1cc(NS(=O)(=O)c2cc(ccc2C)-c2onc(C)c2C)ccc1F
InChI:   InChI=1/C18H16ClFN2O3S/c1-10-4-5-13(18-11(2)12(3)21-25-18)8-17(10)26(23,24)22-14-6-7-16(20)15(19)9-14/h4-9,22H,1-3H3

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)=74.3834 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.854 g/mol  logS: -5.75185  SlogP: 4.86016  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.117302  Sterimol/B1: 2.37075  Sterimol/B2: 3.92768  Sterimol/B3: 4.79044
  Sterimol/B4: 9.5711  Sterimol/L: 14.0874 
 
 Surface and Volume Properties
  Accessible surface: 593.955  Positive charged surface: 273.043  Negative charged surface: 320.912  Volume: 332.5
  Hydrophobic surface: 495.194  Hydrophilic surface: 98.761
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.