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


PUBCHEM-ZINC06635006

 MMsINC code: MMs03831544
Type: Ionized
Formula: C10H21O2S-
SMILES:   S(=O)([O-])CC(CCCC)CCCC
InChI:   InChI=1/C10H22O2S/c1-3-5-7-10(8-6-4-2)9-13(11)12/h10H,3-9H2,1-2H3,(H,11,12)/p-1

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)=6.65557 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 205.342 g/mol  logS: -3.65416  SlogP: 2.8621  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0885388  Sterimol/B1: 2.43309  Sterimol/B2: 3.40595  Sterimol/B3: 3.46963
  Sterimol/B4: 8.38515  Sterimol/L: 13.4226 
 
 Surface and Volume Properties
  Accessible surface: 461.256  Positive charged surface: 318.263  Negative charged surface: 142.993  Volume: 218.5
  Hydrophobic surface: 341.868  Hydrophilic surface: 119.388
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 2  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:  
   
Parent related molecule:


MMs03831543
PUBCHEM-ZINC06635006