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


PUBCHEM-ZINC05159465

 MMsINC code: MMs03215304
Type: Neutral
Formula: C6H7NOS
SMILES:   S(=O)(C)c1ncccc1
InChI:   InChI=1/C6H7NOS/c1-9(8)6-4-2-3-5-7-6/h2-5H,1H3/t9-/m1/s1

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)=36.9046 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 141.194 g/mol  logS: -0.72817  SlogP: 0.819  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.101594  Sterimol/B1: 2.12139  Sterimol/B2: 3.40695  Sterimol/B3: 3.84704
  Sterimol/B4: 3.88858  Sterimol/L: 10.257 
 
 Surface and Volume Properties
  Accessible surface: 313.758  Positive charged surface: 195.386  Negative charged surface: 118.372  Volume: 128.625
  Hydrophobic surface: 245.017  Hydrophilic surface: 68.741
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.