Molecular Properties | |
SMILES: | O=C(Nc1c(Br)ncc2ccccc12)[C@@H]1CCOc2ccc(Cl)cc21 |
MW: | 415.99 |
Fraction sp3: | 0.16 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 51.22 |
cLogP: | 5.16 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
2-halo pyridine
α-Halogen substituted N-heterocycles
Filter9_metal
Filter94_2_halo_pyridine
aryl bromide
2-halopyridine
halo-pyridine,_-diazoles_and_-triazoles
JOH-UNI-f51e3bbc-3
0.741
ADA-UCB-dc2b944c-10
0.741
JOH-UNI-f51e3bbc-4
0.716
EDJ-MED-ba7e64f2-3
0.626
ADA-UCB-dc2b944c-11
0.622
MAT-POS-b3e365b9-1
0.618
VLA-UCB-1dbca3b4-15
0.618
MAT-POS-f7918075-1
0.618
MAT-POS-b3e365b9-2
0.618
JOH-UNI-1b27fa5e-2
0.615
JOH-SUS-a69c159d-6
0.582
JOH-SUS-a69c159d-1
0.559
ADA-UCB-dc2b944c-12
0.559
RAL-THA-b00e3cbf-1
0.547
JOH-SUS-a69c159d-3
0.547
ALF-EVA-5b152d2f-4
0.547
JOH-SUS-a69c159d-2
0.543
JOH-UNI-1b27fa5e-4
0.542
VLA-UNK-0ffe3317-1
0.538
MAT-POS-a3f7f96a-2
0.533
PET-UNK-158bee2a-5
0.533
VLA-UNK-0ffe3317-7
0.533
JOH-SUS-a69c159d-4
0.531
JOH-UNI-1b27fa5e-3
0.531
JOH-UNI-1b27fa5e-6
0.527
EDJ-MED-51d3200d-4
0.527
EDJ-MED-ba7e64f2-1
0.526
BEN-DND-c852c98b-4
0.526
BEN-DND-4f474d93-2
0.526
JAG-UCB-52b62a6f-17
0.526
ALP-POS-ce760d3f-3
0.526
EDJ-MED-eff36d94-1
0.526
ALP-POS-ce760d3f-4
0.526
MAT-POS-b5c94171-1
0.522
JAG-UCB-52b62a6f-6
0.521
JAG-UCB-c61058a9-45
0.521
NAU-LAT-b7d8c353-3
0.521
VLA-UCB-05e51b3f-18
0.521
FRA-DIA-e29753f2-1
0.521
VLA-UCB-50c39ae8-11
0.521
BEN-DND-b89db3f2-1
0.521
JOH-UNI-f51e3bbc-2
0.520
ERI-UCB-9c7ec71b-2
0.516
EDJ-MED-e9694d2b-1
0.516
LON-WEI-0a73fcb8-7
0.516
JOH-UNI-1b27fa5e-1
0.515
ADA-UCB-dc2b944c-8
0.515
BEN-DND-c852c98b-1
0.515
JAG-UCB-c61058a9-41
0.511
MAT-POS-500f4700-1
0.511
EDG-MED-5d232de5-2
0.510
ALP-POS-696356e4-1
0.510
ALP-POS-ce760d3f-7
0.510
EDG-MED-5d232de5-1
0.510
DAR-DIA-6a508060-2
0.510
JOH-SUS-a69c159d-7
0.510
BEN-DND-a7517465-7
0.510
RAL-THA-3d7a794f-4
0.505
JOH-UNI-1b27fa5e-7
0.505
TAT-ENA-0e28ea53-1
0.505
MAT-POS-51833a24-3
0.505
BEN-DND-a7517465-5
0.505
BEN-DND-a7517465-2
0.505
BEN-DND-a7517465-3
0.505
ALP-POS-82da25a3-2
0.505
PET-UNK-f4e47ebd-4
0.505
BEN-DND-4f474d93-1
0.500
BEN-DND-4f474d93-3
0.500
BEN-DND-c852c98b-7
0.500
ALP-POS-ce760d3f-2
0.500
ALF-EVA-5b152d2f-1
0.500
JAG-UCB-52b62a6f-3
0.500
PET-UNK-6314f867-1
0.500
LON-WEI-0a73fcb8-6
0.500
BEN-DND-a7517465-11
0.500
ALF-EVA-5b152d2f-2
0.500
PET-UNK-b1ef24dc-7
0.500
MAT-POS-51833a24-1
0.500
BEN-DND-02317c5c-3
0.500
JAG-UCB-52b62a6f-13
0.500
JAG-UCB-52b62a6f-2
0.500
PET-UNK-ee8352fa-6
0.495
NAU-LAT-b7d8c353-8
0.495
MAK-UNK-8be7dca9-6
0.495
JOH-SUS-a69c159d-5
0.495
BEN-DND-a7517465-1
0.495
MAK-UNK-8be7dca9-7
0.495
JOH-UNI-f51e3bbc-1
0.495
EDJ-MED-ba7e64f2-2
0.495
PET-UNK-b38839dc-3
0.495
MAT-POS-11b63608-1
0.495
DAR-DIA-6a508060-1
0.495
MAT-POS-b3e365b9-4
0.495
BRU-CON-c4e3408a-1
0.495
DAR-DIA-6a508060-6
0.495
MAT-POS-b3e365b9-3
0.495
JAN-GHE-f4ca5a00-13
0.495
PET-UNK-158bee2a-7
0.495
MAT-POS-419aafdb-2
0.490
PET-UNK-f4e47ebd-3
0.490