Molecular Properties | |
SMILES: | O=C(Nc1c(F)nc(F)c2ccc(F)cc12)C1CCOc2ccc(Cl)cc21 |
MW: | 392.05 |
Fraction sp3: | 0.16 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 51.22 |
cLogP: | 4.81 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
2-halo pyridine
α-Halogen substituted N-heterocycles
Filter94_2_halo_pyridine
high halogen content (>3)
2-halopyridine
JOH-SUS-a69c159d-6
0.735
JOH-SUS-a69c159d-5
0.626
PET-UNK-03fd2068-1
0.581
ALP-POS-696356e4-1
0.576
EDG-MED-5d232de5-2
0.576
EDG-MED-5d232de5-1
0.576
ALP-POS-ce760d3f-7
0.576
JAG-UCB-52b62a6f-4
0.570
JAG-UCB-52b62a6f-9
0.559
JOH-UNI-1b27fa5e-4
0.558
JAG-UCB-52b62a6f-18
0.542
MAT-POS-a3f7f96a-2
0.533
JOH-SUS-a69c159d-2
0.526
PET-UNK-7f7e354d-1
0.521
JOH-UNI-16fcdf60-1
0.516
LON-WEI-0a73fcb8-3
0.515
PET-UNK-158bee2a-7
0.511
BEN-DND-c852c98b-4
0.510
EDJ-MED-ba7e64f2-1
0.510
ADA-UCB-dc2b944c-9
0.510
JOH-UNI-f51e3bbc-3
0.510
MAT-POS-b5c94171-1
0.505
JOH-UNI-1b27fa5e-7
0.505
MAT-POS-b3e365b9-2
0.500
MAT-POS-b3e365b9-1
0.500
PET-UNK-b1ef24dc-8
0.500
MAT-POS-f7918075-1
0.500
MIC-UNK-7574fcc6-2
0.500
VLA-UCB-1dbca3b4-15
0.500
ADA-UCB-dc2b944c-10
0.495
BEN-DND-4f474d93-2
0.495
ALP-POS-ce760d3f-3
0.495
JOH-UNI-1b27fa5e-6
0.495
MAT-POS-8040981b-1
0.490
ALP-POS-82da25a3-1
0.490
MAT-POS-14f31916-5
0.490
RAL-THA-3d7a794f-4
0.489
RAL-THA-b74298ba-1
0.489
BEN-DND-c852c98b-2
0.485
BEN-DND-c852c98b-7
0.485
PET-UNK-6314f867-1
0.485
MAK-UNK-8be7dca9-9
0.485
JOH-UNI-1b27fa5e-2
0.485
JOH-UNI-1b27fa5e-3
0.485
ALF-EVA-5b152d2f-2
0.485
JAG-UCB-52b62a6f-1
0.485
JAG-UCB-52b62a6f-2
0.485
BEN-DND-4f474d93-1
0.485
BEN-DND-4f474d93-3
0.485
ALP-POS-ce760d3f-2
0.485
PET-UNK-b1ef24dc-7
0.485
RAL-THA-b74298ba-4
0.485
NAU-LAT-8502cac5-12
0.484
JOH-UNI-d0d90dc1-3
0.484
PET-UNK-158bee2a-5
0.484
LON-WEI-0a73fcb8-7
0.484
VLA-UNK-0ffe3317-7
0.484
JOH-UNI-f51e3bbc-4
0.480
PET-UNK-ee8352fa-5
0.480
MAT-POS-14f31916-1
0.480
MAT-POS-d8472c4f-6
0.480
EDJ-MED-ba7e64f2-3
0.480
PET-UNK-b38839dc-3
0.480
NAU-LAT-8502cac5-13
0.480
JOH-UNI-1b27fa5e-5
0.480
ROB-UNI-569bc02e-3
0.479
MAT-POS-b3e365b9-4
0.479
JAG-UCB-119787ef-1
0.479
MAT-POS-968e8d9c-1
0.479
NAU-LAT-8502cac5-11
0.479
NAU-LAT-8502cac5-15
0.479
JAN-GHE-f4ca5a00-13
0.479
BRU-CON-c4e3408a-1
0.479
RAL-THA-b74298ba-3
0.479
JAG-UCB-c61058a9-41
0.479
JAG-UCB-c61058a9-21
0.479
JAG-UCB-a3ef7265-20
0.479
MAT-POS-b3e365b9-3
0.479
DAR-DIA-6a508060-6
0.479
EDG-MED-fe7487f8-9
0.479
MIC-UNK-42806bd5-4
0.478
TET-ENA-1a76f195-1
0.476
PET-UNK-f4e47ebd-4
0.476
JAG-UCB-52b62a6f-11
0.475
MAT-POS-14f31916-2
0.475
MAT-POS-14f31916-4
0.475
ALP-POS-82da25a3-2
0.475
MAT-POS-8293a91a-3
0.475
MAT-POS-acfe5bae-5
0.475
BEN-DND-a7517465-5
0.475
ADA-UCB-b1b30a00-6
0.475
PET-UNK-b1ef24dc-6
0.475
MAT-POS-a2421bb6-4
0.474
JAG-UCB-52b62a6f-6
0.474
VLA-UNK-0ffe3317-1
0.474
MAT-POS-8293a91a-1
0.474
MAT-POS-afb6844f-1
0.474
JAG-UCB-c61058a9-22
0.474
NAU-LAT-8502cac5-10
0.473
PET-UNK-b38839dc-4
0.471