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


PUBCHEM-ZINC03086691

 MMsINC code: MMs02991859
Type: Neutral
Formula: C14H28N2O2S
SMILES:   S(CCC(=O)N(CC)CC)CCC(=O)N(CC)CC
InChI:   InChI=1/C14H28N2O2S/c1-5-15(6-2)13(17)9-11-19-12-10-14(18)16(7-3)8-4/h5-12H2,1-4H3

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)=13.9126 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.456 g/mol  logS: -1.78826  SlogP: 2.2366  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0268512  Sterimol/B1: 2.40293  Sterimol/B2: 2.68015  Sterimol/B3: 3.19502
  Sterimol/B4: 6.37825  Sterimol/L: 18.0674 
 
 Surface and Volume Properties
  Accessible surface: 597.208  Positive charged surface: 433.573  Negative charged surface: 163.634  Volume: 309.125
  Hydrophobic surface: 425.128  Hydrophilic surface: 172.08
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.