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


ENAMINE-ZINC03288915

 MMsINC code: MMs01352078
Type: Neutral
Formula: C14H17F6N3O
SMILES:   FC(F)(F)c1cc(cc(NC(=O)CNCCN(C)C)c1)C(F)(F)F
InChI:   InChI=1/C14H17F6N3O/c1-23(2)4-3-21-8-12(24)22-11-6-9(13(15,16)17)5-10(7-11)14(18,19)20/h5-7,21H,3-4,8H2,1-2H3,(H,22,24)

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)=98.834 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 357.298 g/mol  logS: -3.3649  SlogP: 3.4369  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0346314  Sterimol/B1: 1.99134  Sterimol/B2: 3.92686  Sterimol/B3: 4.63028
  Sterimol/B4: 5.3853  Sterimol/L: 17.8215 
 
 Surface and Volume Properties
  Accessible surface: 581.598  Positive charged surface: 319.757  Negative charged surface: 261.841  Volume: 286.375
  Hydrophobic surface: 309.681  Hydrophilic surface: 271.917
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs01352079
ENAMINE-ZINC03288915