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


CHEMBLOCK-ZINC04578132

 MMsINC code: MMs00558856
Type: Neutral
Formula: C19H26ClNO3S
SMILES:   Clc1ccc(S(=O)(=O)NCCC23CC4CC(C2)CC(C3)C4)cc1OC
InChI:   InChI=1/C19H26ClNO3S/c1-24-18-9-16(2-3-17(18)20)25(22,23)21-5-4-19-10-13-6-14(11-19)8-15(7-13)12-19/h2-3,9,13-15,21H,4-8,10-12H2,1H3/t13-,14+,15-,19+

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)=56.7318 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 383.94 g/mol  logS: -6.86737  SlogP: 4.2334  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.125327  Sterimol/B1: 2.47664  Sterimol/B2: 4.10366  Sterimol/B3: 6.0833
  Sterimol/B4: 6.40466  Sterimol/L: 15.9387 
 
 Surface and Volume Properties
  Accessible surface: 605.328  Positive charged surface: 394.351  Negative charged surface: 210.977  Volume: 346.125
  Hydrophobic surface: 518.019  Hydrophilic surface: 87.309
 
 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.