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


NCID-ZINC05215424

 MMsINC code: MMs02449597
Type: Neutral
Formula: C16H35PS
SMILES:   S=P(CCCCCC)(CCCCCC)CCCC
InChI:   InChI=1/C16H35PS/c1-4-7-10-12-15-17(18,14-9-6-3)16-13-11-8-5-2/h4-16H2,1-3H3

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)=25.859 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.496 g/mol  logS: -5.54902  SlogP: 6.4266  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.04048  Sterimol/B1: 3.36111  Sterimol/B2: 3.93663  Sterimol/B3: 4.0189
  Sterimol/B4: 7.69792  Sterimol/L: 19.9552 
 
 Surface and Volume Properties
  Accessible surface: 650.141  Positive charged surface: 490.737  Negative charged surface: 159.403  Volume: 335.875
  Hydrophobic surface: 538.199  Hydrophilic surface: 111.942
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.