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


CHEMBLOCK-ZINC04126864

 MMsINC code: MMs00542990
Type: Neutral
Formula: C15H19F3O2
SMILES:   FC(F)(F)C(=O)C(C(=O)C)C12CC3CC(C1)CC(C2)C3
InChI:   InChI=1/C15H19F3O2/c1-8(19)12(13(20)15(16,17)18)14-5-9-2-10(6-14)4-11(3-9)7-14/h9-12H,2-7H2,1H3/t9-,10+,11-,12-,14-/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)=77.7422 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.309 g/mol  logS: -5.75814  SlogP: 3.9593  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.27193  Sterimol/B1: 2.22611  Sterimol/B2: 3.82095  Sterimol/B3: 4.0918
  Sterimol/B4: 7.07531  Sterimol/L: 11.0461 
 
 Surface and Volume Properties
  Accessible surface: 437.249  Positive charged surface: 247.508  Negative charged surface: 189.742  Volume: 248.125
  Hydrophobic surface: 299.509  Hydrophilic surface: 137.74
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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


MMs00542994
CHEMBLOCK-ZINC04126864


MMs00542992
CHEMBLOCK-ZINC04126864


MMs00542993
CHEMBLOCK-ZINC04126864


MMs00542991
CHEMBLOCK-ZINC04126864