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


PUBCHEM-ZINC00376670

 MMsINC code: MMs02667263
Type: Neutral
Formula: C11H14S2
SMILES:   S1CCCSC1c1cc(ccc1)C
InChI:   InChI=1/C11H14S2/c1-9-4-2-5-10(8-9)11-12-6-3-7-13-11/h2,4-5,8,11H,3,6-7H2,1H3

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)=31.0364 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.365 g/mol  logS: -4.04746  SlogP: 3.95922  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0778405  Sterimol/B1: 2.39751  Sterimol/B2: 3.65841  Sterimol/B3: 3.66883
  Sterimol/B4: 5.79203  Sterimol/L: 12.9786 
 
 Surface and Volume Properties
  Accessible surface: 417.3  Positive charged surface: 253.498  Negative charged surface: 163.803  Volume: 208.625
  Hydrophobic surface: 352.235  Hydrophilic surface: 65.065
 
 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.