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


ENAMINE-ZINC00449843

 MMsINC code: MMs01230857
Type: Neutral
Formula: C14H21NO2S
SMILES:   S(=O)(=O)(NC1CCCCCCC1)c1ccccc1
InChI:   InChI=1/C14H21NO2S/c16-18(17,14-11-7-4-8-12-14)15-13-9-5-2-1-3-6-10-13/h4,7-8,11-13,15H,1-3,5-6,9-10H2

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)=68.5102 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.393 g/mol  logS: -3.72444  SlogP: 3.0778  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.228196  Sterimol/B1: 2.64459  Sterimol/B2: 3.6451  Sterimol/B3: 4.39488
  Sterimol/B4: 6.61916  Sterimol/L: 12.1333 
 
 Surface and Volume Properties
  Accessible surface: 462.969  Positive charged surface: 280.737  Negative charged surface: 182.232  Volume: 257.75
  Hydrophobic surface: 388.415  Hydrophilic surface: 74.554
 
 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.