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


PUBCHEM-ZINC03132795

 MMsINC code: MMs02999258
Type: Neutral
Formula: C14H23O2P
SMILES:   P(O)(=O)(C(CCCCCC)C)c1ccccc1
InChI:   InChI=1/C14H23O2P/c1-3-4-5-7-10-13(2)17(15,16)14-11-8-6-9-12-14/h6,8-9,11-13H,3-5,7,10H2,1-2H3,(H,15,16)/t13-/m0/s1

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)=27.3617 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.31 g/mol  logS: -3.75257  SlogP: 2.871  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0451139  Sterimol/B1: 3.02503  Sterimol/B2: 3.2177  Sterimol/B3: 3.81343
  Sterimol/B4: 5.78511  Sterimol/L: 16.9257 
 
 Surface and Volume Properties
  Accessible surface: 518.381  Positive charged surface: 339.831  Negative charged surface: 178.551  Volume: 268.625
  Hydrophobic surface: 424.551  Hydrophilic surface: 93.83
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.