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


NIH-ZINC04196219

 MMsINC code: MMs02533408
Type: Neutral
Formula: C19H27ClN2O5S
SMILES:   Clc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)NCC1OCCC1
InChI:   InChI=1/C19H27ClN2O5S/c20-17-11-16(28(24,25)22-14-5-2-1-3-6-14)8-9-18(17)27-13-19(23)21-12-15-7-4-10-26-15/h8-9,11,14-15,22H,1-7,10,12-13H2,(H,21,23)/t15-/m0/s1

Download   format file 
Drug Similarity  |  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)=49.1212 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 430.953 g/mol  logS: -4.34626  SlogP: 2.625  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0386495  Sterimol/B1: 3.35172  Sterimol/B2: 3.45471  Sterimol/B3: 5.68546
  Sterimol/B4: 6.64928  Sterimol/L: 21.211 
 
 Surface and Volume Properties
  Accessible surface: 709.448  Positive charged surface: 464.422  Negative charged surface: 245.026  Volume: 386.375
  Hydrophobic surface: 570.732  Hydrophilic surface: 138.716
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.