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


APOLLO-ZINC04277126

 MMsINC code: MMs00057551
Type: Neutral
Formula: C13H24F3O6P
SMILES:   P(OC(C(OCC)=O)C(F)(F)F)(OCCCC)(OCCCC)=O
InChI:   InChI=1/C13H24F3O6P/c1-4-7-9-20-23(18,21-10-8-5-2)22-11(13(14,15)16)12(17)19-6-3/h11H,4-10H2,1-3H3/t11-/m1/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)=-0.761178 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.297 g/mol  logS: -3.77271  SlogP: 3.5882  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0509113  Sterimol/B1: 2.40882  Sterimol/B2: 3.25201  Sterimol/B3: 4.21077
  Sterimol/B4: 11.2279  Sterimol/L: 17.4443 
 
 Surface and Volume Properties
  Accessible surface: 638.939  Positive charged surface: 406.999  Negative charged surface: 231.94  Volume: 312.25
  Hydrophobic surface: 417.238  Hydrophilic surface: 221.701
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.