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


ENAMINE-ZINC03457622

 MMsINC code: MMs01455031
Type: Neutral
Formula: C19H20F3N3O3
SMILES:   FC(F)(F)c1cc(Nc2ncccc2C(OCC(=O)N(CC)CC)=O)ccc1
InChI:   InChI=1/C19H20F3N3O3/c1-3-25(4-2)16(26)12-28-18(27)15-9-6-10-23-17(15)24-14-8-5-7-13(11-14)19(20,21)22/h5-11H,3-4,12H2,1-2H3,(H,23,24)

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)=89.9169 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 395.381 g/mol  logS: -4.2176  SlogP: 4.1807  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0316391  Sterimol/B1: 2.54261  Sterimol/B2: 2.82804  Sterimol/B3: 4.10952
  Sterimol/B4: 9.16927  Sterimol/L: 18.5746 
 
 Surface and Volume Properties
  Accessible surface: 662.099  Positive charged surface: 376.723  Negative charged surface: 285.376  Volume: 348.25
  Hydrophobic surface: 434.859  Hydrophilic surface: 227.24
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.