Molecular Properties | |
SMILES: | O=C(Nc1cnc(Br)c2ccccc12)[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-SUS-a69c159d-2
0.723
ADA-UCB-dc2b944c-12
0.723
JOH-SUS-a69c159d-1
0.723
JOH-SUS-a69c159d-3
0.706
JOH-SUS-a69c159d-4
0.706
JOH-UNI-f51e3bbc-2
0.690
MAT-POS-b3e365b9-2
0.632
VLA-UCB-1dbca3b4-15
0.632
MAT-POS-b3e365b9-1
0.632
MAT-POS-f7918075-1
0.632
JOH-UNI-1b27fa5e-1
0.629
ADA-UCB-dc2b944c-9
0.622
ADA-UCB-dc2b944c-8
0.593
JOH-UNI-1b27fa5e-6
0.591
JOH-UNI-f51e3bbc-1
0.589
JOH-SUS-a69c159d-5
0.587
JOH-UNI-f51e3bbc-3
0.570
MAK-UNK-8be7dca9-6
0.568
NAU-LAT-b7d8c353-8
0.568
JOH-UNI-1b27fa5e-7
0.568
VLA-UCB-05e51b3f-18
0.565
NAU-LAT-b7d8c353-3
0.565
JAG-UCB-c61058a9-45
0.565
BEN-DND-b89db3f2-1
0.565
FRA-DIA-e29753f2-1
0.565
VLA-UCB-50c39ae8-11
0.565
BEN-DND-4f474d93-3
0.560
ALP-POS-ce760d3f-2
0.560
BEN-DND-4f474d93-1
0.560
BEN-DND-c852c98b-4
0.554
ALP-POS-ce760d3f-7
0.554
ALP-POS-ce760d3f-3
0.554
EDG-MED-5d232de5-1
0.554
BEN-DND-4f474d93-2
0.554
ALP-POS-696356e4-1
0.554
EDG-MED-5d232de5-2
0.554
ADA-UCB-dc2b944c-10
0.553
ADA-UCB-b1b30a00-8
0.553
LON-WEI-0a73fcb8-7
0.544
ERI-UCB-9c7ec71b-2
0.544
EDJ-MED-e9694d2b-1
0.544
JOH-SUS-a69c159d-6
0.543
ALF-EVA-5b152d2f-2
0.543
JOH-UNI-1b27fa5e-2
0.543
MAK-UNK-8be7dca9-9
0.543
BRU-CON-c4e3408a-1
0.539
JAN-GHE-f4ca5a00-13
0.539
DAR-DIA-6a508060-6
0.539
MAT-POS-b3e365b9-3
0.539
MAT-POS-b3e365b9-4
0.539
JAG-UCB-52b62a6f-17
0.538
JOH-UNI-1b27fa5e-5
0.538
MAK-UNK-8be7dca9-7
0.537
EDJ-MED-eff36d94-1
0.537
ALP-POS-ce760d3f-4
0.537
BEN-DND-a7517465-7
0.537
WIL-UCB-7ba4ac3a-1
0.537
JOH-UNI-1b27fa5e-4
0.537
JOH-UNI-f51e3bbc-4
0.536
JAG-UCB-c61058a9-7
0.533
JAG-UCB-52b62a6f-6
0.533
BEN-DND-c852c98b-5
0.531
BEN-DND-c852c98b-3
0.531
MAT-POS-f9802937-7
0.531
JAG-UCB-c61058a9-6
0.528
MAK-UNK-f481d203-1
0.527
MAK-UNK-919546f0-1
0.527
MAK-UNK-f481d203-2
0.527
VLA-UCB-53bdeed6-3
0.527
VLA-UCB-05e51b3f-20
0.526
VLA-UCB-50c39ae8-13
0.526
JOH-UNI-1b27fa5e-3
0.526
EDJ-MED-fb4b7746-3
0.526
EDG-MED-0e5afe9d-2
0.526
MAK-UNK-8be7dca9-5
0.526
BEN-DND-c852c98b-1
0.526
BEN-DND-c852c98b-7
0.526
RUB-POS-1325a9ea-10
0.526
JAG-UCB-c61058a9-11
0.522
BEN-DND-a7517465-10
0.521
BEN-DND-c852c98b-8
0.521
BEN-DND-c852c98b-10
0.521
BEN-DND-a7517465-8
0.521
MAK-UNK-8be7dca9-8
0.520
ALF-EVA-5b152d2f-7
0.520
ALF-EVA-5b152d2f-5
0.520
RAL-THA-3d7a794f-4
0.517
JAG-UCB-c61058a9-9
0.516
BEN-DND-a7517465-2
0.516
BEN-DND-a7517465-3
0.516
BEN-DND-a7517465-5
0.516
NAU-LAT-b7d8c353-5
0.515
MAK-UNK-8be7dca9-2
0.515
BEN-DND-c852c98b-6
0.515
ALF-EVA-5b152d2f-8
0.515
LON-WEI-0a73fcb8-6
0.511
JAG-UCB-52b62a6f-13
0.510
ALF-EVA-5b152d2f-1
0.510
EDJ-MED-fb4b7746-2
0.510
BEN-DND-a7517465-11
0.510