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


PUBCHEM-ZINC01844666

 MMsINC code: MMs02823294
Type: Neutral
Formula: C14H27NOS
SMILES:   S(C(CC)(CC)C(=O)NC1CCCCC1)CC
InChI:   InChI=1/C14H27NOS/c1-4-14(5-2,17-6-3)13(16)15-12-10-8-7-9-11-12/h12H,4-11H2,1-3H3,(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)=41.1495 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 257.442 g/mol  logS: -3.6113  SlogP: 3.7472  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0898938  Sterimol/B1: 2.4701  Sterimol/B2: 3.17893  Sterimol/B3: 3.85293
  Sterimol/B4: 7.12499  Sterimol/L: 15.5314 
 
 Surface and Volume Properties
  Accessible surface: 503.769  Positive charged surface: 361.26  Negative charged surface: 142.51  Volume: 279.75
  Hydrophobic surface: 404.078  Hydrophilic surface: 99.691
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.