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


NCID-ZINC01756218

 MMsINC code: MMs02364740
Type: Neutral
Formula: C14H29OP
SMILES:   P(=O)(CC(C)C)(CC(C)C)C1CCCCC1
InChI:   InChI=1/C14H29OP/c1-12(2)10-16(15,11-13(3)4)14-8-6-5-7-9-14/h12-14H,5-11H2,1-4H3

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)=33.5535 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.359 g/mol  logS: -2.0349  SlogP: 3.924  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.165025  Sterimol/B1: 2.45947  Sterimol/B2: 2.46388  Sterimol/B3: 4.72211
  Sterimol/B4: 7.9903  Sterimol/L: 13.0792 
 
 Surface and Volume Properties
  Accessible surface: 478.295  Positive charged surface: 350.953  Negative charged surface: 127.343  Volume: 275.75
  Hydrophobic surface: 392.806  Hydrophilic surface: 85.489
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.