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


PUBCHEM-ZINC05836952

 MMsINC code: MMs03408528
Type: Neutral
Formula: C6H13FOS
SMILES:   S(CC(O)CF)CCC
InChI:   InChI=1/C6H13FOS/c1-2-3-9-5-6(8)4-7/h6,8H,2-5H2,1H3/t6-/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)=22.3765 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 152.233 g/mol  logS: -1.23255  SlogP: 1.46  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0603216  Sterimol/B1: 2.57082  Sterimol/B2: 2.76775  Sterimol/B3: 3.16059
  Sterimol/B4: 3.67433  Sterimol/L: 12.9086 
 
 Surface and Volume Properties
  Accessible surface: 357.105  Positive charged surface: 245.79  Negative charged surface: 111.316  Volume: 149.25
  Hydrophobic surface: 226.297  Hydrophilic surface: 130.808
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.