Molecular Properties | |
SMILES: | O=C(Nc1cnc(F)c2ccccc12)C1CCOc2ccc(Cl)cc21 |
MW: | 356.07 |
Fraction sp3: | 0.16 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 51.22 |
cLogP: | 4.53 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
2-halo pyridine
α-Halogen substituted N-heterocycles
Filter94_2_halo_pyridine
2-halopyridine
JOH-SUS-a69c159d-5
0.768
JOH-SUS-a69c159d-3
0.735
JOH-SUS-a69c159d-4
0.735
RAL-THA-b00e3cbf-1
0.735
ADA-UCB-dc2b944c-12
0.732
JOH-SUS-a69c159d-1
0.732
ADA-UCB-dc2b944c-11
0.723
JOH-UNI-f51e3bbc-2
0.698
MAT-POS-f7918075-1
0.659
MAT-POS-b3e365b9-1
0.659
VLA-UCB-1dbca3b4-15
0.659
MAT-POS-b3e365b9-2
0.659
JOH-UNI-1b27fa5e-1
0.636
EDG-MED-5d232de5-2
0.614
ALP-POS-696356e4-1
0.614
EDG-MED-5d232de5-1
0.614
ALP-POS-ce760d3f-7
0.614
JOH-SUS-a69c159d-6
0.602
PET-UNK-03fd2068-1
0.600
ADA-UCB-dc2b944c-8
0.600
JOH-UNI-1b27fa5e-6
0.598
JOH-UNI-f51e3bbc-1
0.596
EDJ-MED-ba7e64f2-2
0.596
JOH-UNI-1b27fa5e-7
0.593
PET-UNK-b1ef24dc-7
0.584
JOH-UNI-1b27fa5e-4
0.576
MAT-POS-8293a91a-1
0.575
NAU-LAT-b7d8c353-8
0.574
MAK-UNK-8be7dca9-6
0.574
VLA-UNK-0ffe3317-7
0.568
PET-UNK-158bee2a-5
0.568
MAT-POS-1f3c8e6f-1
0.568
ALP-POS-ce760d3f-2
0.567
BEN-DND-4f474d93-1
0.567
BEN-DND-4f474d93-3
0.567
PET-UNK-b1ef24dc-8
0.567
MIC-UNK-7574fcc6-2
0.567
JOH-UNI-1b27fa5e-2
0.565
ALF-EVA-5b152d2f-2
0.565
PET-UNK-6314f867-1
0.564
EDJ-MED-51d3200d-4
0.562
EDJ-MED-ba7e64f2-1
0.560
BEN-DND-4f474d93-2
0.560
BEN-DND-c852c98b-4
0.560
ALP-POS-ce760d3f-3
0.560
PET-UNK-b38839dc-3
0.560
JOH-UNI-1b27fa5e-5
0.560
EDJ-MED-eff36d94-1
0.559
ALP-POS-ce760d3f-4
0.559
ADA-UCB-b1b30a00-8
0.559
MAT-POS-d8472c4f-6
0.559
MAT-POS-14f31916-1
0.559
PET-UNK-ee8352fa-5
0.558
VLA-UCB-50c39ae8-11
0.554
FRA-DIA-e29753f2-1
0.554
VLA-UCB-05e51b3f-18
0.554
PET-UNK-7f7e354d-1
0.554
BEN-DND-b89db3f2-1
0.554
NAU-LAT-b7d8c353-3
0.554
JAG-UCB-c61058a9-45
0.554
BEN-DND-a7517465-5
0.554
MAT-POS-14f31916-5
0.554
MAT-POS-8293a91a-3
0.553
PET-UNK-f4e47ebd-3
0.552
EDJ-MED-e9694d2b-1
0.551
ERI-UCB-9c7ec71b-2
0.551
LON-WEI-0a73fcb8-7
0.551
EDJ-MED-51d3200d-3
0.549
JOH-UNI-1b27fa5e-3
0.548
MAK-UNK-8be7dca9-9
0.548
BEN-DND-c852c98b-1
0.547
BEN-DND-a7517465-11
0.547
BEN-DND-c852c98b-7
0.547
BEN-DND-c852c98b-2
0.546
PET-UNK-b38839dc-4
0.546
MAT-POS-b3e365b9-4
0.545
DAR-DIA-6a508060-6
0.545
BRU-CON-c4e3408a-1
0.545
JAN-GHE-f4ca5a00-13
0.545
MAT-POS-b3e365b9-3
0.545
JAG-UCB-52b62a6f-17
0.543
WIL-UCB-7ba4ac3a-1
0.543
ADA-UCB-dc2b944c-9
0.543
MAK-UNK-8be7dca9-7
0.543
ADA-UCB-dc2b944c-10
0.543
JOH-UNI-f51e3bbc-3
0.543
BEN-DND-a7517465-7
0.543
PET-UNK-ee8352fa-6
0.542
JAG-UCB-c61058a9-7
0.539
MAT-POS-afb6844f-1
0.539
MAT-POS-7ddaf7de-4
0.539
JAG-UCB-52b62a6f-6
0.538
MAT-POS-a2421bb6-4
0.538
VLA-UNK-0ffe3317-1
0.538
ALP-POS-82da25a3-2
0.537
ALP-POS-82da25a3-1
0.537
BEN-DND-c852c98b-3
0.537
MAT-POS-f9802937-7
0.537
ERI-UCB-8d4e5055-4
0.537
MAT-POS-14f31916-2
0.537