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


IBS-ZINC00547424

 MMsINC code: MMs01752949
Type: Neutral
Formula: C14H18FO3P
SMILES:   P(OC)(=O)(C(O)c1ccc(F)cc1)C#CC(C)(C)C
InChI:   InChI=1/C14H18FO3P/c1-14(2,3)9-10-19(17,18-4)13(16)11-5-7-12(15)8-6-11/h5-8,13,16H,1-4H3/t13-,19+/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)=75.2602 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.267 g/mol  logS: -3.63511  SlogP: 2.77341  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0991725  Sterimol/B1: 2.07339  Sterimol/B2: 3.73285  Sterimol/B3: 5.26838
  Sterimol/B4: 5.53544  Sterimol/L: 15.6441 
 
 Surface and Volume Properties
  Accessible surface: 537.738  Positive charged surface: 333.798  Negative charged surface: 203.941  Volume: 273.75
  Hydrophobic surface: 411.326  Hydrophilic surface: 126.412
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.