Molecular Properties | |
SMILES: | O=C(Nc1cnc(F)c2ccc(F)cc12)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-2
0.768
PET-UNK-03fd2068-1
0.670
EDG-MED-5d232de5-2
0.667
ALP-POS-696356e4-1
0.667
EDG-MED-5d232de5-1
0.667
ALP-POS-ce760d3f-7
0.667
JOH-SUS-a69c159d-7
0.626
JOH-UNI-1b27fa5e-6
0.614
PET-UNK-b1ef24dc-7
0.600
JOH-SUS-a69c159d-4
0.598
ADA-UCB-dc2b944c-11
0.587
PET-UNK-b1ef24dc-8
0.582
MAT-POS-b3e365b9-2
0.582
MAT-POS-b3e365b9-1
0.582
MAT-POS-f7918075-1
0.582
VLA-UCB-1dbca3b4-15
0.582
RAL-THA-b00e3cbf-1
0.581
JOH-SUS-a69c159d-3
0.581
PET-UNK-6314f867-1
0.579
PET-UNK-b38839dc-3
0.576
JOH-SUS-a69c159d-1
0.576
ADA-UCB-dc2b944c-12
0.576
MAT-POS-14f31916-1
0.574
MAT-POS-d8472c4f-6
0.574
JOH-UNI-1b27fa5e-7
0.573
MAT-POS-14f31916-5
0.570
PET-UNK-7f7e354d-1
0.570
JAG-UCB-52b62a6f-4
0.570
ALP-POS-82da25a3-1
0.568
MAT-POS-8040981b-1
0.568
ALP-POS-ce760d3f-2
0.565
MIC-UNK-7574fcc6-2
0.565
BEN-DND-4f474d93-1
0.565
BEN-DND-4f474d93-3
0.565
ALF-EVA-5b152d2f-2
0.564
MAK-UNK-8be7dca9-9
0.564
BEN-DND-c852c98b-2
0.561
EDJ-MED-ba7e64f2-1
0.559
BEN-DND-4f474d93-2
0.559
ALP-POS-ce760d3f-3
0.559
JAG-UCB-52b62a6f-9
0.559
BEN-DND-c852c98b-4
0.559
PET-UNK-ee8352fa-5
0.557
MAT-POS-8293a91a-1
0.556
MAT-POS-acfe5bae-5
0.552
MAT-POS-8293a91a-3
0.552
PET-UNK-ee8352fa-4
0.552
ALP-POS-82da25a3-2
0.552
MAT-POS-14f31916-2
0.552
JOH-UNI-f51e3bbc-2
0.552
PET-UNK-f4e47ebd-4
0.551
PET-UNK-f4e47ebd-3
0.551
MAT-POS-1f3c8e6f-1
0.549
ADA-UCB-dc2b944c-8
0.547
JOH-UNI-1b27fa5e-1
0.547
MAT-POS-7ddaf7de-2
0.546
ERI-UCB-8d4e5055-3
0.546
MAT-POS-a2421bb6-3
0.546
BEN-DND-c852c98b-1
0.546
MAK-UNK-8be7dca9-5
0.546
BEN-DND-c852c98b-7
0.546
PET-UNK-b38839dc-4
0.545
JOH-UNI-1b27fa5e-5
0.543
JAG-UCB-52b62a6f-18
0.542
WIL-UCB-7ba4ac3a-1
0.542
MAK-UNK-8be7dca9-7
0.542
ALF-EVA-5b152d2f-5
0.541
PET-UNK-ee8352fa-6
0.541
MAT-POS-ee5e8e94-2
0.541
MAT-POS-acfe5bae-1
0.541
MAT-POS-f9802937-7
0.536
BEN-DND-c852c98b-5
0.536
ERI-UCB-8d4e5055-4
0.536
BEN-DND-c852c98b-3
0.536
TET-ENA-382364b7-1
0.535
ALF-EVA-5b152d2f-8
0.535
BEN-DND-c852c98b-6
0.535
MAT-POS-ee5e8e94-1
0.535
TET-ENA-1a76f195-1
0.535
MAK-UNK-8be7dca9-2
0.535
MAT-POS-14f31916-3
0.535
LON-WEI-0a73fcb8-7
0.533
RUB-POS-1325a9ea-10
0.531
MAT-POS-b3e365b9-3
0.527
DAR-DIA-6a508060-6
0.527
BRU-CON-c4e3408a-1
0.527
JAN-GHE-f4ca5a00-13
0.527
MAT-POS-b3e365b9-4
0.527
MAT-POS-afb6844f-2
0.527
RAL-THA-b9d6aec1-3
0.525
MAK-UNK-8be7dca9-8
0.525
ALF-EVA-5b152d2f-7
0.525
MAK-UNK-8be7dca9-6
0.525
NAU-LAT-b7d8c353-8
0.525
MAT-POS-1ecf5680-1
0.525
JAG-UCB-571deb56-5
0.525
MAT-POS-1ecf5680-2
0.525
MAT-POS-7ddaf7de-4
0.522
MAT-POS-afb6844f-1
0.522
JAG-UCB-c61058a9-7
0.522