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


ACROSORGANICS-ZINC01669721

 MMsINC code: MMs00010490
Type: Neutral
Formula: C10H8O4S
SMILES:   S(O)(=O)(=O)c1ccc2c(cccc2)c1O
InChI:   InChI=1/C10H8O4S/c11-10-8-4-2-1-3-7(8)5-6-9(10)15(12,13)14/h1-6,11H,(H,12,13,14)

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)=35.5427 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.236 g/mol  logS: -2.95088  SlogP: 1.2264  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0243592  Sterimol/B1: 2.31391  Sterimol/B2: 3.42935  Sterimol/B3: 4.05504
  Sterimol/B4: 4.30354  Sterimol/L: 12.256 
 
 Surface and Volume Properties
  Accessible surface: 386.567  Positive charged surface: 170.941  Negative charged surface: 204.555  Volume: 182.75
  Hydrophobic surface: 237.202  Hydrophilic surface: 149.365
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs00010491
ACROSORGANICS-ZINC01669721