2D | 3D |
|
select 3D conformers: |
SDF file
|
MOL2 file
|
Kishida2210 |
KS161-5123017 |
MOLECULAR_FORMULA | MOLECULAR_WEIGHT | MOLECULAR_CHARGE | NUM_OF_DONOR |
C18H21N4O3F | 360.389 | 0 | 2 |
NUM_OF_ACCEPTOR | NUM_OF_CHIRAL_ATOMS | LUMO | HOMO |
3 | 1 | -4.1818 | -12.2959 |
mLOGS | mLOGD | mLOGPA | |
-3.793 | 1.676 | -4.468 |
PUBCHEM | 118773179 | 125167736 | 125167743 |