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


ACROSORGANICS-ZINC02539290

 MMsINC code: MMs00014040
Type: Tautomer
Formula: C8H10S
SMILES:   Sc1ccccc1CC
InChI:   InChI=1/C8H10S/c1-2-7-5-3-4-6-8(7)9/h3-6,9H,2H2,1H3

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)=25.3026 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 138.234 g/mol  logS: -3.07855  SlogP: 2.53767  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.127855  Sterimol/B1: 2.12536  Sterimol/B2: 3.37322  Sterimol/B3: 3.43744
  Sterimol/B4: 5.06718  Sterimol/L: 10.0636 
 
 Surface and Volume Properties
  Accessible surface: 322.052  Positive charged surface: 184.261  Negative charged surface: 137.791  Volume: 144.625
  Hydrophobic surface: 259.417  Hydrophilic surface: 62.635
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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:  
   
Parent related molecule:


MMs00014039
ACROSORGANICS-ZINC02539290