Molecular Properties | |
SMILES: | O=C(Nc1c(F)nc(F)c2ccccc12)C1CCOc2ccc(Cl)cc21 |
MW: | 374.06 |
Fraction sp3: | 0.16 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 51.22 |
cLogP: | 4.67 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
2-halo pyridine
α-Halogen substituted N-heterocycles
Filter94_2_halo_pyridine
2-halopyridine
JOH-SUS-a69c159d-7
0.735
JOH-UNI-1b27fa5e-4
0.674
JOH-SUS-a69c159d-2
0.602
JOH-UNI-f51e3bbc-3
0.600
ADA-UCB-dc2b944c-10
0.600
ADA-UCB-dc2b944c-9
0.582
EDJ-MED-ba7e64f2-3
0.565
JOH-UNI-f51e3bbc-4
0.564
VLA-UNK-0ffe3317-1
0.562
JAG-UCB-52b62a6f-6
0.562
MAT-POS-a3f7f96a-2
0.558
PET-UNK-158bee2a-5
0.557
VLA-UNK-0ffe3317-7
0.557
MAT-POS-f7918075-1
0.556
MAT-POS-b3e365b9-1
0.556
VLA-UCB-1dbca3b4-15
0.556
MAT-POS-b3e365b9-2
0.556
JOH-SUS-a69c159d-3
0.554
JOH-UNI-1b27fa5e-1
0.554
JOH-UNI-1b27fa5e-3
0.554
JOH-SUS-a69c159d-4
0.554
JOH-UNI-1b27fa5e-2
0.554
ADA-UCB-dc2b944c-11
0.543
JAG-UCB-52b62a6f-17
0.533
JOH-SUS-a69c159d-1
0.533
ADA-UCB-dc2b944c-12
0.533
MAT-POS-b5c94171-1
0.528
JOH-UNI-1b27fa5e-7
0.528
JOH-UNI-16fcdf60-1
0.523
LON-WEI-0a73fcb8-7
0.522
RAL-THA-b00e3cbf-1
0.521
JOH-UNI-1b27fa5e-6
0.516
ALP-POS-ce760d3f-7
0.516
ALP-POS-696356e4-1
0.516
EDG-MED-5d232de5-1
0.516
EDJ-MED-ba7e64f2-1
0.516
BEN-DND-c852c98b-4
0.516
EDG-MED-5d232de5-2
0.516
JAG-UCB-52b62a6f-9
0.516
EDJ-MED-ba7e64f2-2
0.516
JOH-UNI-f51e3bbc-1
0.516
ALP-POS-ce760d3f-4
0.516
JOH-SUS-a69c159d-5
0.516
EDJ-MED-eff36d94-1
0.516
RAL-THA-b74298ba-1
0.511
BEN-DND-b89db3f2-1
0.511
FRA-DIA-e29753f2-1
0.511
JAG-UCB-c61058a9-45
0.511
BEN-DND-a7517465-5
0.511
VLA-UCB-05e51b3f-18
0.511
VLA-UCB-50c39ae8-11
0.511
NAU-LAT-b7d8c353-3
0.511
ADA-UCB-b1b30a00-6
0.511
JAG-UCB-52b62a6f-4
0.511
JOH-UNI-f51e3bbc-2
0.510
JAG-UCB-c61058a9-6
0.506
NAU-LAT-8502cac5-12
0.505
ERI-UCB-9c7ec71b-2
0.505
JOH-UNI-d0d90dc1-3
0.505
EDJ-MED-e9694d2b-1
0.505
MIC-UNK-7574fcc6-2
0.505
LON-WEI-0a73fcb8-3
0.505
PET-UNK-03fd2068-1
0.505
JAG-UCB-52b62a6f-1
0.505
JAG-UCB-52b62a6f-2
0.505
ALF-EVA-5b152d2f-4
0.505
BEN-DND-c852c98b-7
0.505
MAT-POS-b3e365b9-4
0.500
JAG-UCB-a3ef7265-20
0.500
JAG-UCB-119787ef-1
0.500
MAT-POS-968e8d9c-1
0.500
ALP-POS-ce760d3f-3
0.500
JAN-GHE-f4ca5a00-13
0.500
PET-UNK-158bee2a-7
0.500
JOH-UNI-1b27fa5e-5
0.500
NAU-LAT-8502cac5-15
0.500
BRU-CON-c4e3408a-1
0.500
DAR-DIA-6a508060-6
0.500
RAL-THA-b74298ba-3
0.500
EDG-MED-fe7487f8-9
0.500
JAG-UCB-c61058a9-21
0.500
BEN-DND-a7517465-7
0.500
ROB-UNI-569bc02e-3
0.500
JAG-UCB-c61058a9-41
0.500
MAT-POS-b3e365b9-3
0.500
BEN-DND-4f474d93-2
0.500
JAG-UCB-52b62a6f-11
0.495
BEN-DND-a7517465-3
0.495
MAT-UCB-70f7c0f7-6
0.495
RAL-THA-04c5403f-2
0.495
BEN-DND-a7517465-2
0.495
PET-UNK-7f7e354d-1
0.495
JAG-UCB-52b62a6f-5
0.495
MAT-POS-a2421bb6-4
0.495
JAG-UCB-c61058a9-7
0.495
JAG-UCB-c61058a9-9
0.495
MAT-POS-8293a91a-1
0.495
MAT-POS-afb6844f-1
0.495
JAG-UCB-c61058a9-22
0.495
NAU-LAT-8502cac5-10
0.494