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


ENAMINE-ZINC03176995

 MMsINC code: MMs01296140
Type: Neutral
Formula: C16H14F5O3P
SMILES:   P(Oc1ccccc1)(OC(C(F)(F)C(F)(F)F)c1ccccc1)(=O)C
InChI:   InChI=1/C16H14F5O3P/c1-25(22,23-13-10-6-3-7-11-13)24-14(12-8-4-2-5-9-12)15(17,18)16(19,20)21/h2-11,14H,1H3/t14-,25-/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)=77.8721 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.249 g/mol  logS: -4.86769  SlogP: 5.7089  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.188548  Sterimol/B1: 2.41221  Sterimol/B2: 3.90354  Sterimol/B3: 4.85
  Sterimol/B4: 7.73501  Sterimol/L: 14.5669 
 
 Surface and Volume Properties
  Accessible surface: 531.996  Positive charged surface: 249.403  Negative charged surface: 282.593  Volume: 301.625
  Hydrophobic surface: 380.677  Hydrophilic surface: 151.319
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.