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


PUBCHEM-ZINC05850725

 MMsINC code: MMs03416590
Type: Neutral
Formula: C4H8S2
SMILES:   S1CC1CCS
InChI:   InChI=1/C4H8S2/c5-2-1-4-3-6-4/h4-5H,1-3H2/t4-/m0/s1

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)=22.6539 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 120.24 g/mol  logS: -1.92149  SlogP: 1.4217  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.107963  Sterimol/B1: 2.30675  Sterimol/B2: 2.85635  Sterimol/B3: 3.04379
  Sterimol/B4: 3.80143  Sterimol/L: 9.88552 
 
 Surface and Volume Properties
  Accessible surface: 297.659  Positive charged surface: 153.69  Negative charged surface: 143.969  Volume: 115.5
  Hydrophobic surface: 181.725  Hydrophilic surface: 115.934
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.