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


PUBCHEM-ZINC05509256

 MMsINC code: MMs03291241
Type: Neutral
Formula: C11H14S2
SMILES:   S1CCSC1(CC)c1ccccc1
InChI:   InChI=1/C11H14S2/c1-2-11(12-8-9-13-11)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3

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)=53.8776 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.365 g/mol  logS: -4.07598  SlogP: 4.0409  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.209242  Sterimol/B1: 2.53917  Sterimol/B2: 3.38993  Sterimol/B3: 3.88821
  Sterimol/B4: 6.13651  Sterimol/L: 11.2743 
 
 Surface and Volume Properties
  Accessible surface: 394.511  Positive charged surface: 242.085  Negative charged surface: 152.426  Volume: 207
  Hydrophobic surface: 328.066  Hydrophilic surface: 66.445
 
 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:  
   

Ions/Tautomers related molecules: no related molecules available.