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


PUBCHEM-ZINC06069033

 MMsINC code: MMs03521953
Type: Neutral
Formula: C11H17O3PS3
SMILES:   S(C)c1c(C)c(SC)ccc1OP(=S)(OC)OC
InChI:   InChI=1/C11H17O3PS3/c1-8-10(17-4)7-6-9(11(8)18-5)14-15(16,12-2)13-3/h6-7H,1-5H3

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)=76.5117 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 324.426 g/mol  logS: -5.02457  SlogP: 4.33492  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.157051  Sterimol/B1: 3.34122  Sterimol/B2: 4.36192  Sterimol/B3: 4.6712
  Sterimol/B4: 6.48252  Sterimol/L: 14.161 
 
 Surface and Volume Properties
  Accessible surface: 522.09  Positive charged surface: 319.02  Negative charged surface: 203.07  Volume: 282.125
  Hydrophobic surface: 406.987  Hydrophilic surface: 115.103
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.