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


ENAMINE-ZINC02655306

 MMsINC code: MMs01278410
Type: Neutral
Formula: C15H14ClF3N2O3S2
SMILES:   Clc1c(F)c(S(=O)(=O)N(CC(=O)NCc2sccc2)CC)c(F)cc1F
InChI:   InChI=1/C15H14ClF3N2O3S2/c1-2-21(8-12(22)20-7-9-4-3-5-25-9)26(23,24)15-11(18)6-10(17)13(16)14(15)19/h3-6H,2,7-8H2,1H3,(H,20,22)

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)=22.0484 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 426.867 g/mol  logS: -4.99202  SlogP: 3.4122  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0674321  Sterimol/B1: 2.26542  Sterimol/B2: 2.49247  Sterimol/B3: 5.40711
  Sterimol/B4: 7.40075  Sterimol/L: 18.0698 
 
 Surface and Volume Properties
  Accessible surface: 605.832  Positive charged surface: 257.167  Negative charged surface: 348.664  Volume: 327.375
  Hydrophobic surface: 489.97  Hydrophilic surface: 115.862
 
 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.