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


ACROSORGANICS-ZINC00895149

 MMsINC code: MMs00008139
Type: Neutral
Formula: C4H10O2S2
SMILES:   SCC(O)C(O)CS
InChI:   InChI=1/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2/t3-,4-/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)=35.385 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 154.254 g/mol  logS: -1.16238  SlogP: -0.4322  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.154327  Sterimol/B1: 2.45976  Sterimol/B2: 2.77162  Sterimol/B3: 3.22821
  Sterimol/B4: 3.45932  Sterimol/L: 11.3465 
 
 Surface and Volume Properties
  Accessible surface: 326.505  Positive charged surface: 192.006  Negative charged surface: 134.498  Volume: 137.125
  Hydrophobic surface: 156.416  Hydrophilic surface: 170.089
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.