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


PUBCHEM-ZINC06095343

 MMsINC code: MMs03541423
Type: Neutral
Formula: C14H14O4S4
SMILES:   S(O)(=O)c1ccccc1CSSCc1ccccc1S(O)=O
InChI:   InChI=1/C14H14O4S4/c15-21(16)13-7-3-1-5-11(13)9-19-20-10-12-6-2-4-8-14(12)22(17)18/h1-8H,9-10H2,(H,15,16)(H,17,18)

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)=80.0101 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.526 g/mol  logS: -5.62112  SlogP: 3.3308  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0722072  Sterimol/B1: 2.54173  Sterimol/B2: 3.00269  Sterimol/B3: 3.967
  Sterimol/B4: 7.17674  Sterimol/L: 14.498 
 
 Surface and Volume Properties
  Accessible surface: 559.219  Positive charged surface: 293.89  Negative charged surface: 265.33  Volume: 303.75
  Hydrophobic surface: 306.545  Hydrophilic surface: 252.674
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs03541424
PUBCHEM-ZINC06095343