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


APOLLO-ZINC01042084

 MMsINC code: MMs00049007
Type: Neutral
Formula: C5H10O5S2
SMILES:   S(=O)(=O)(C)C1CS(=O)(=O)CC1O
InChI:   InChI=1/C5H10O5S2/c1-11(7,8)5-3-12(9,10)2-4(5)6/h4-6H,2-3H2,1H3/t4-,5+/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)=21.9582 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.262 g/mol  logS: 0.24082  SlogP: -1.8111  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.186491  Sterimol/B1: 3.03335  Sterimol/B2: 3.27192  Sterimol/B3: 3.53819
  Sterimol/B4: 4.26861  Sterimol/L: 9.87847 
 
 Surface and Volume Properties
  Accessible surface: 345.127  Positive charged surface: 171.84  Negative charged surface: 173.287  Volume: 157.25
  Hydrophobic surface: 171.637  Hydrophilic surface: 173.49
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.