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


ENAMINE-ZINC00687852

 MMsINC code: MMs01235050
Type: Neutral
Formula: C16H23ClN2O4S
SMILES:   Clc1cc(S(=O)(=O)N(CC(=O)N2CCCCCC2)C)ccc1OC
InChI:   InChI=1/C16H23ClN2O4S/c1-18(12-16(20)19-9-5-3-4-6-10-19)24(21,22)13-7-8-15(23-2)14(17)11-13/h7-8,11H,3-6,9-10,12H2,1-2H3

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)=68.7134 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.889 g/mol  logS: -3.10561  SlogP: 2.3717  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0679084  Sterimol/B1: 2.47128  Sterimol/B2: 2.56621  Sterimol/B3: 5.22023
  Sterimol/B4: 6.9812  Sterimol/L: 16.7803 
 
 Surface and Volume Properties
  Accessible surface: 601.451  Positive charged surface: 395.306  Negative charged surface: 206.144  Volume: 332.5
  Hydrophobic surface: 525.397  Hydrophilic surface: 76.054
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.