Molecular Properties | |
SMILES: | O=C(Nc1cnc(C(F)F)c(Cl)c1Cl)C1CCOc2ccc(Cl)cc21 |
MW: | 405.99 |
Fraction sp3: | 0.25 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 51.22 |
cLogP: | 5.48 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
high halogen content (>3)
4-halopyridine
JOH-UNI-1b27fa5e-5
0.782
JOH-SUS-a69c159d-3
0.699
JOH-UNI-1b27fa5e-7
0.675
JOH-SUS-a69c159d-5
0.614
MAT-POS-a2421bb6-4
0.612
JOH-SUS-a69c159d-2
0.598
MAT-POS-8293a91a-1
0.595
ADA-UCB-dc2b944c-11
0.591
MAT-POS-1f3c8e6f-1
0.588
JOH-SUS-a69c159d-4
0.584
BEN-DND-c852c98b-7
0.582
ADA-UCB-dc2b944c-12
0.580
JOH-SUS-a69c159d-1
0.580
JOH-UNI-f51e3bbc-2
0.571
BEN-DND-c852c98b-6
0.570
LON-WEI-0a73fcb8-7
0.570
PET-UNK-b1ef24dc-8
0.568
RAL-THA-b00e3cbf-1
0.567
JOH-UNI-1b27fa5e-3
0.567
PET-UNK-03fd2068-1
0.567
JAN-GHE-f4ca5a00-13
0.565
MAT-POS-b3e365b9-4
0.565
DAR-DIA-6a508060-6
0.565
BRU-CON-c4e3408a-1
0.565
MAT-POS-b3e365b9-3
0.565
MAT-POS-afb6844f-2
0.563
ALP-POS-696356e4-1
0.562
ALP-POS-ce760d3f-3
0.562
EDG-MED-5d232de5-1
0.562
BEN-DND-4f474d93-2
0.562
BEN-DND-c852c98b-4
0.562
EDG-MED-5d232de5-2
0.562
EDJ-MED-ba7e64f2-1
0.562
ALP-POS-ce760d3f-7
0.562
PET-UNK-b38839dc-3
0.562
RAL-THA-3d7a794f-4
0.560
JAG-UCB-c61058a9-7
0.558
MAT-POS-7ddaf7de-4
0.558
MAT-POS-afb6844f-1
0.558
ALP-POS-b3e0acc5-2
0.557
PET-UNK-ee8352fa-4
0.554
EDJ-MED-e9694d2b-1
0.552
ERI-UCB-9c7ec71b-2
0.552
VLA-UCB-53bdeed6-3
0.552
MAK-UNK-919546f0-1
0.552
MAK-UNK-f481d203-1
0.552
MAK-UNK-f481d203-2
0.552
MAT-POS-a2421bb6-1
0.551
MAT-POS-b3e365b9-1
0.551
MAT-POS-b3e365b9-2
0.551
ALP-POS-ce760d3f-2
0.551
BEN-DND-4f474d93-3
0.551
PET-UNK-b1ef24dc-7
0.551
MIC-UNK-7574fcc6-2
0.551
MAT-POS-f7918075-1
0.551
BEN-DND-4f474d93-1
0.551
VLA-UCB-1dbca3b4-15
0.551
BEN-DND-c852c98b-2
0.547
NAU-LAT-8502cac5-16
0.547
JAG-UCB-c61058a9-41
0.547
JAG-UCB-c61058a9-11
0.545
EDJ-MED-51d3200d-4
0.545
BEN-DND-a7517465-10
0.544
BEN-DND-c852c98b-8
0.544
WIL-UCB-7ba4ac3a-1
0.543
MAT-POS-d8472c4f-6
0.543
EDJ-MED-51d3200d-1
0.543
MAT-POS-14f31916-1
0.543
ADA-UCB-b1b30a00-8
0.543
TAT-ENA-0e28ea53-1
0.540
PET-UNK-b1ef24dc-6
0.538
BEN-DND-a7517465-5
0.538
PET-UNK-e274cad4-7
0.538
PET-UNK-7f7e354d-1
0.538
MAT-POS-14f31916-5
0.538
MAT-POS-f9802937-7
0.538
MAT-POS-8293a91a-3
0.538
BEN-DND-c852c98b-3
0.538
PET-UNK-f4e47ebd-4
0.537
MAT-POS-a3f7f96a-2
0.535
EDJ-MED-51d3200d-3
0.533
PET-UNK-b1ef24dc-5
0.533
MAT-POS-afb6844f-3
0.533
MAT-POS-afb6844f-4
0.533
MAK-UNK-8be7dca9-9
0.533
ADA-UCB-dc2b944c-8
0.533
JOH-UNI-1b27fa5e-1
0.533
ALF-EVA-5b152d2f-2
0.533
EDJ-MED-fb4b7746-2
0.533
EDJ-MED-fb4b7746-1
0.532
MAT-POS-2bb0cf2b-2
0.532
PET-UNK-158bee2a-7
0.529
RAL-THA-3d7a794f-2
0.528
MAK-UNK-8be7dca9-7
0.527
ADA-UCB-dc2b944c-9
0.527
BEN-DND-c852c98b-10
0.527
BEN-DND-a7517465-8
0.527
MAT-POS-a2421bb6-2
0.527
EDJ-MED-51d3200d-2
0.527
PET-UNK-ee8352fa-6
0.526