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


IBS-ZINC00496162

 MMsINC code: MMs01739995
Type: Neutral
Formula: C12H10O2S
SMILES:   S(c1ccccc1O)c1ccccc1O
InChI:   InChI=1/C12H10O2S/c13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14/h1-8,13-14H

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)=57.6652 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 218.276 g/mol  logS: -3.50624  SlogP: 3.249  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.160072  Sterimol/B1: 3.64209  Sterimol/B2: 3.73995  Sterimol/B3: 4.0497
  Sterimol/B4: 4.52189  Sterimol/L: 12.3507 
 
 Surface and Volume Properties
  Accessible surface: 410.581  Positive charged surface: 226.005  Negative charged surface: 184.576  Volume: 203.75
  Hydrophobic surface: 296.103  Hydrophilic surface: 114.478
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.