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


ENAMINE-ZINC06589251

 MMsINC code: MMs01680294
Type: Neutral
Formula: C14H10Cl2F3NO2S
SMILES:   Clc1cccc(Cl)c1S(=O)(=O)NCc1cc(ccc1)C(F)(F)F
InChI:   InChI=1/C14H10Cl2F3NO2S/c15-11-5-2-6-12(16)13(11)23(21,22)20-8-9-3-1-4-10(7-9)14(17,18)19/h1-7,20H,8H2

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)=41.7396 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 384.205 g/mol  logS: -5.51589  SlogP: 5.0686  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.099365  Sterimol/B1: 2.55416  Sterimol/B2: 3.83763  Sterimol/B3: 5.02205
  Sterimol/B4: 6.58923  Sterimol/L: 15.1959 
 
 Surface and Volume Properties
  Accessible surface: 533.366  Positive charged surface: 170.202  Negative charged surface: 363.164  Volume: 286.5
  Hydrophobic surface: 363.912  Hydrophilic surface: 169.454
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.