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


ENAMINE-ZINC00452647

 MMsINC code: MMs01230947
Type: Neutral
Formula: C14H13Cl2NO2S
SMILES:   Clc1cc(Cl)ccc1CNS(=O)(=O)c1ccc(cc1)C
InChI:   InChI=1/C14H13Cl2NO2S/c1-10-2-6-13(7-3-10)20(18,19)17-9-11-4-5-12(15)8-14(11)16/h2-8,17H,9H2,1H3

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)=17.8053 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 330.235 g/mol  logS: -4.93326  SlogP: 4.04672  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.082864  Sterimol/B1: 3.05689  Sterimol/B2: 3.41214  Sterimol/B3: 4.06364
  Sterimol/B4: 6.07231  Sterimol/L: 16.5576 
 
 Surface and Volume Properties
  Accessible surface: 533.633  Positive charged surface: 219.654  Negative charged surface: 313.979  Volume: 278.375
  Hydrophobic surface: 456.515  Hydrophilic surface: 77.118
 
 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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.