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


NCID-ZINC05855962

 MMsINC code: MMs02508751
Type: Neutral
Formula: C14H28O2S
SMILES:   S(CCCCCCCCCCCC(O)=O)CC
InChI:   InChI=1/C14H28O2S/c1-2-17-13-11-9-7-5-3-4-6-8-10-12-14(15)16/h2-13H2,1H3,(H,15,16)

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)=0.777009 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.442 g/mol  logS: -4.48402  SlogP: 4.7251  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0136721  Sterimol/B1: 2.37539  Sterimol/B2: 2.37596  Sterimol/B3: 2.89046
  Sterimol/B4: 3.02112  Sterimol/L: 23.4994 
 
 Surface and Volume Properties
  Accessible surface: 607.325  Positive charged surface: 460.316  Negative charged surface: 147.009  Volume: 287.75
  Hydrophobic surface: 454.769  Hydrophilic surface: 152.556
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs02508752
NCID-ZINC05855962