Molecular Properties | |
SMILES: | O=C(Nc1cnc(C(F)F)c2ccccc12)C1CCOc2ccc(Cl)cc21 |
MW: | 388.08 |
Fraction sp3: | 0.2 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 51.22 |
cLogP: | 5.33 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
JOH-SUS-a69c159d-2
0.735
JOH-SUS-a69c159d-4
0.718
JOH-SUS-a69c159d-1
0.714
ADA-UCB-dc2b944c-12
0.714
ADA-UCB-dc2b944c-11
0.706
JOH-UNI-1b27fa5e-6
0.699
JOH-UNI-f51e3bbc-2
0.682
JOH-UNI-1b27fa5e-5
0.674
JOH-UNI-1b27fa5e-3
0.659
JOH-UNI-1b27fa5e-7
0.655
MAT-POS-b3e365b9-1
0.644
MAT-POS-b3e365b9-2
0.644
MAT-POS-f7918075-1
0.644
VLA-UCB-1dbca3b4-15
0.644
JOH-UNI-1b27fa5e-1
0.604
BEN-DND-c852c98b-7
0.602
BEN-DND-c852c98b-6
0.589
ADA-UCB-dc2b944c-8
0.587
EDG-MED-5d232de5-1
0.582
EDG-MED-5d232de5-2
0.582
ALP-POS-ce760d3f-3
0.582
BEN-DND-4f474d93-2
0.582
BEN-DND-c852c98b-4
0.582
JOH-UNI-f51e3bbc-1
0.582
ALP-POS-696356e4-1
0.582
ALP-POS-ce760d3f-7
0.582
JOH-SUS-a69c159d-5
0.581
MAK-UNK-8be7dca9-6
0.579
NAU-LAT-b7d8c353-8
0.579
BEN-DND-4f474d93-1
0.571
BEN-DND-4f474d93-3
0.571
ALP-POS-ce760d3f-2
0.571
ALF-EVA-5b152d2f-2
0.570
NAU-LAT-b7d8c353-3
0.559
FRA-DIA-e29753f2-1
0.559
VLA-UCB-50c39ae8-11
0.559
BEN-DND-b89db3f2-1
0.559
VLA-UCB-05e51b3f-18
0.559
JAG-UCB-c61058a9-45
0.559
MAT-POS-f9802937-7
0.558
LON-WEI-0a73fcb8-7
0.556
JOH-SUS-a69c159d-6
0.554
MAK-UNK-8be7dca9-9
0.553
BEN-DND-c852c98b-2
0.551
JOH-UNI-1b27fa5e-4
0.547
MAK-UNK-8be7dca9-7
0.547
JOH-UNI-f51e3bbc-3
0.547
ADA-UCB-dc2b944c-10
0.547
ADA-UCB-b1b30a00-8
0.547
ADA-UCB-dc2b944c-9
0.547
ALF-EVA-5b152d2f-5
0.546
MAK-UNK-8be7dca9-8
0.546
BEN-DND-a7517465-5
0.543
BEN-DND-c852c98b-3
0.542
BEN-DND-c852c98b-5
0.542
MAK-UNK-8be7dca9-2
0.541
EDJ-MED-e9694d2b-1
0.538
ERI-UCB-9c7ec71b-2
0.538
JOH-UNI-1b27fa5e-2
0.537
BEN-DND-a7517465-11
0.536
MAK-UNK-8be7dca9-5
0.536
BEN-DND-c852c98b-1
0.536
MAT-POS-b3e365b9-4
0.533
BRU-CON-c4e3408a-1
0.533
MAT-POS-b3e365b9-3
0.533
JAN-GHE-f4ca5a00-13
0.533
DAR-DIA-6a508060-6
0.533
JAG-UCB-52b62a6f-17
0.532
EDJ-MED-eff36d94-1
0.531
BEN-DND-a7517465-1
0.531
ALP-POS-ce760d3f-4
0.531
BEN-DND-a7517465-7
0.531
ALF-EVA-5b152d2f-7
0.531
JOH-UNI-f51e3bbc-4
0.531
JAG-UCB-c61058a9-7
0.527
JAG-UCB-52b62a6f-6
0.527
BEN-DND-a7517465-2
0.526
BEN-DND-a7517465-3
0.526
ALF-EVA-5b152d2f-8
0.525
JAG-UCB-c61058a9-6
0.522
MAK-UNK-919546f0-1
0.522
MAK-UNK-f481d203-2
0.522
MAK-UNK-f481d203-1
0.522
LON-WEI-0a73fcb8-6
0.522
VLA-UCB-53bdeed6-3
0.522
EDG-MED-0e5afe9d-2
0.521
ALF-EVA-5b152d2f-1
0.521
VLA-UCB-05e51b3f-20
0.521
EDJ-MED-fb4b7746-3
0.521
VLA-UCB-50c39ae8-13
0.521
ALF-EVA-ced740bd-1
0.520
NAU-LAT-8502cac5-16
0.516
JAG-UCB-c61058a9-11
0.516
BEN-DND-c852c98b-8
0.516
BEN-DND-a7517465-10
0.516
BEN-DND-c852c98b-10
0.515
BEN-DND-a7517465-8
0.515
ALF-EVA-ced740bd-2
0.515
RAL-THA-3d7a794f-4
0.511
JAG-UCB-c61058a9-9
0.511