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


PUBCHEM-ZINC03145257

 MMsINC code: MMs03001074
Type: Neutral
Formula: C18H22O4S2
SMILES:   S(=O)(=O)(C(S(=O)(=O)c1ccccc1)CCCCC)c1ccccc1
InChI:   InChI=1/C18H22O4S2/c1-2-3-6-15-18(23(19,20)16-11-7-4-8-12-16)24(21,22)17-13-9-5-10-14-17/h4-5,7-14,18H,2-3,6,15H2,1H3

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)=35.5891 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.502 g/mol  logS: -5.41597  SlogP: 3.8406  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.131369  Sterimol/B1: 2.88682  Sterimol/B2: 3.71968  Sterimol/B3: 4.34861
  Sterimol/B4: 9.16513  Sterimol/L: 15.7444 
 
 Surface and Volume Properties
  Accessible surface: 599.995  Positive charged surface: 341.574  Negative charged surface: 258.421  Volume: 334.5
  Hydrophobic surface: 499.913  Hydrophilic surface: 100.082
 
 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.