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


PUBCHEM-ZINC05481943

 MMsINC code: MMs03282079
Type: Neutral
Formula: C14H23O3P
SMILES:   P(=O)(C(O)C(C)C)(C(O)C(C)C)c1ccccc1
InChI:   InChI=1/C14H23O3P/c1-10(2)13(15)18(17,14(16)11(3)4)12-8-6-5-7-9-12/h5-11,13-16H,1-4H3/t13-,14+,18+

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)=89.7722 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.309 g/mol  logS: -1.744  SlogP: 1.5536  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.2141  Sterimol/B1: 2.74494  Sterimol/B2: 3.72531  Sterimol/B3: 4.70652
  Sterimol/B4: 6.67616  Sterimol/L: 12.445 
 
 Surface and Volume Properties
  Accessible surface: 480.905  Positive charged surface: 304.404  Negative charged surface: 176.501  Volume: 270.75
  Hydrophobic surface: 347.775  Hydrophilic surface: 133.13
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.