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


ENAMINE-ZINC02646498

 MMsINC code: MMs01272520
Type: Neutral
Formula: C22H15ClF4N2O2S2
SMILES:   Clc1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)Cc2sc3c(n2)cccc3)cc1C(F)(F)F
InChI:   InChI=1/C22H15ClF4N2O2S2/c23-18-10-9-16(11-17(18)22(25,26)27)33(30,31)29(12-14-5-7-15(24)8-6-14)13-21-28-19-3-1-2-4-20(19)32-21/h1-11H,12-13H2

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)=72.0753 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 514.951 g/mol  logS: -7.43699  SlogP: 7.343  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0959285  Sterimol/B1: 3.4651  Sterimol/B2: 4.08654  Sterimol/B3: 4.1251
  Sterimol/B4: 7.32699  Sterimol/L: 16.5543 
 
 Surface and Volume Properties
  Accessible surface: 634.073  Positive charged surface: 242.8  Negative charged surface: 391.273  Volume: 402.75
  Hydrophobic surface: 505.727  Hydrophilic surface: 128.346
 
 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: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.