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


PUBCHEM-ZINC06855356

 MMsINC code: MMs03875225
Type: Neutral
Formula: C5H10O3S
SMILES:   SC1CC(O)C(O)C1O
InChI:   InChI=1/C5H10O3S/c6-2-1-3(9)5(8)4(2)7/h2-9H,1H2/t2-,3-,4-,5-/m1/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)=51.3475 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 150.198 g/mol  logS: -0.32199  SlogP: -1.2288  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.236338  Sterimol/B1: 2.49809  Sterimol/B2: 2.5221  Sterimol/B3: 3.49616
  Sterimol/B4: 4.89025  Sterimol/L: 9.26006 
 
 Surface and Volume Properties
  Accessible surface: 304.799  Positive charged surface: 207.957  Negative charged surface: 96.8415  Volume: 129.25
  Hydrophobic surface: 133.81  Hydrophilic surface: 170.989
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.