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


PUBCHEM-ZINC05935114

 MMsINC code: MMs03452595
Type: Ionized
Formula: C10H7O4S-
SMILES:   S(=O)(=O)([O-])c1cc(O)cc2c1cccc2
InChI:   InChI=1/C10H8O4S/c11-8-5-7-3-1-2-4-9(7)10(6-8)15(12,13)14/h1-6,11H,(H,12,13,14)/p-1

Download   format file 
Drug Similarity  |  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)=36.8491 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 223.228 g/mol  logS: -3.0224  SlogP: 1.4495  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0278601  Sterimol/B1: 3.04805  Sterimol/B2: 3.04848  Sterimol/B3: 4.04017
  Sterimol/B4: 5.25136  Sterimol/L: 10.4096 
 
 Surface and Volume Properties
  Accessible surface: 373.851  Positive charged surface: 140.866  Negative charged surface: 222.446  Volume: 180.125
  Hydrophobic surface: 220.059  Hydrophilic surface: 153.792
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 3  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:  
   
Parent related molecule:


MMs03452594
PUBCHEM-ZINC05935114