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


CHEMDIV-ZINC07005150

 MMsINC code: MMs01070633
Type: Neutral
Formula: C17H14ClFN2O4S
SMILES:   Clc1cc(NS(=O)(=O)c2cc(ccc2OC)-c2onc(c2)C)ccc1F
InChI:   InChI=1/C17H14ClFN2O4S/c1-10-7-16(25-20-10)11-3-6-15(24-2)17(8-11)26(22,23)21-12-4-5-14(19)13(18)9-12/h3-9,21H,1-2H3

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)=71.5923 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.826 g/mol  logS: -5.48129  SlogP: 4.25192  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.161029  Sterimol/B1: 4.03038  Sterimol/B2: 5.06051  Sterimol/B3: 6.14588
  Sterimol/B4: 6.76584  Sterimol/L: 13.9338 
 
 Surface and Volume Properties
  Accessible surface: 596.928  Positive charged surface: 291.061  Negative charged surface: 305.868  Volume: 324.375
  Hydrophobic surface: 491.372  Hydrophilic surface: 105.556
 
 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.