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


PUBCHEM-ZINC05031785

 MMsINC code: MMs03190880
Type: Neutral
Formula: C19H24F3NO
SMILES:   FC(F)(F)c1cc(ccc1)CNC(CC(C)(C)c1oc(cc1)C)C
InChI:   InChI=1/C19H24F3NO/c1-13(11-18(3,4)17-9-8-14(2)24-17)23-12-15-6-5-7-16(10-15)19(20,21)22/h5-10,13,23H,11-12H2,1-4H3/t13-/m0/s1

Download   format file 
Drug Similarity  |  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)=105.851 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 339.401 g/mol  logS: -5.00878  SlogP: 6.03072  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.108837  Sterimol/B1: 2.41412  Sterimol/B2: 4.11556  Sterimol/B3: 5.84877
  Sterimol/B4: 6.66972  Sterimol/L: 15.8186 
 
 Surface and Volume Properties
  Accessible surface: 589.525  Positive charged surface: 315.556  Negative charged surface: 273.97  Volume: 325
  Hydrophobic surface: 433.925  Hydrophilic surface: 155.6
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs03190881
PUBCHEM-ZINC05031785