Molecular Properties | |
SMILES: | C=CC(=O)N(c1ccc(C(F)(F)F)cc1)C(C(=O)NC1CCCC1)c1cccnc1 |
MW: | 417.431 |
Fraction sp3: | 0.32 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 62.3 |
cLogP: | 4.4195 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Long aliphatic chain
AAR-POS-0daf6b7e-21
NIM-NMI-8bb27a2b-15
0.945
NIM-NMI-8bb27a2b-17
0.889
LON-WEI-adc59df6-35
0.829
LON-WEI-adc59df6-8
0.785
LON-WEI-adc59df6-14
0.779
LON-WEI-adc59df6-44
0.731
RAL-MED-9a5eb9cb-10
0.701
ERI-UCB-fbdd3ea1-4
0.696
RAL-MED-9a5eb9cb-12
0.696
LON-WEI-adc59df6-39
0.663
RAL-MED-9a5eb9cb-9
0.663
BRU-LEF-8bac3ce8-1
0.659
NIM-NMI-8bb27a2b-22
0.640
RAL-MED-9a5eb9cb-11
0.636
NIM-NMI-8bb27a2b-19
0.635
NIM-NMI-8bb27a2b-24
0.635
LON-WEI-b8d98729-41
0.632
NIM-NMI-8bb27a2b-16
0.628
LON-WEI-b8d98729-27
0.618
NIM-NMI-8bb27a2b-18
0.607
NIM-NMI-8bb27a2b-20
0.607
NIM-NMI-8bb27a2b-23
0.607
NIM-NMI-8bb27a2b-25
0.604
LON-WEI-adc59df6-1
0.600
NIM-NMI-8bb27a2b-21
0.598
NIM-NMI-8bb27a2b-28
0.593
ERI-UCB-fbdd3ea1-1
0.591
LON-WEI-b8d98729-39
0.591
ERI-UCB-fbdd3ea1-2
0.591
LON-WEI-adc59df6-21
0.590
LON-WEI-adc59df6-6
0.585
NIM-NMI-8bb27a2b-26
0.585
JAN-GHE-d851b096-7
0.581
LON-WEI-b8d98729-37
0.579
LON-WEI-8f408cad-8
0.578
LON-WEI-adc59df6-3
0.573
LON-WEI-babf2c61-9
0.568
LON-WEI-adc59df6-91
0.568
ERI-UCB-fbdd3ea1-6
0.565
NIM-NMI-8bb27a2b-27
0.562
LON-WEI-b8d98729-7
0.558
LON-WEI-adc59df6-15
0.553
LON-WEI-adc59df6-41
0.549
LON-WEI-adc59df6-30
0.547
LON-WEI-adc59df6-31
0.539
LON-WEI-adc59df6-82
0.539
ERI-UCB-fbdd3ea1-5
0.537
NIM-NMI-8bb27a2b-1
0.537
ALP-POS-88a7a97e-28
0.537
LON-WEI-adc59df6-80
0.529
LON-WEI-adc59df6-26
0.527
LON-WEI-adc59df6-42
0.527
ERI-UCB-fbdd3ea1-7
0.527
LON-WEI-adc59df6-32
0.526
LON-WEI-adc59df6-29
0.522
LON-WEI-adc59df6-37
0.521
LON-WEI-adc59df6-46
0.516
LON-WEI-d1c9908a-1
0.511
LON-WEI-adc59df6-17
0.511
LON-WEI-adc59df6-95
0.511
LON-WEI-adc59df6-36
0.511
LON-WEI-d1c9908a-7
0.511
LON-WEI-adc59df6-5
0.510
LON-WEI-adc59df6-19
0.510
BRU-THA-40a53a3c-1
0.510
LON-WEI-b8d98729-6
0.506
LON-WEI-adc59df6-28
0.505
LON-WEI-adc59df6-22
0.505
LON-WEI-adc59df6-33
0.505
LON-WEI-adc59df6-24
0.505
ALP-POS-88a7a97e-45
0.500
LON-WEI-adc59df6-16
0.500
LON-WEI-adc59df6-18
0.500
LON-WEI-d1c9908a-9
0.500
LON-WEI-adc59df6-27
0.500
RIT-AID-af4ac3d4-1
0.500
LON-WEI-adc59df6-23
0.495
LON-WEI-adc59df6-83
0.495
LON-WEI-b8d98729-35
0.495
LON-WEI-adc59df6-10
0.495
LON-WEI-adc59df6-40
0.495
NIM-NMI-8bb27a2b-3
0.495
LON-WEI-adc59df6-11
0.490
LON-WEI-adc59df6-25
0.490
LON-WEI-d1c9908a-12
0.490
LON-WEI-b8d98729-33
0.490
LON-WEI-adc59df6-9
0.490
LON-WEI-adc59df6-12
0.490
LON-WEI-adc59df6-34
0.490
LON-WEI-d1c9908a-10
0.490
RAL-MED-9a5eb9cb-4
0.490
LON-WEI-b8d98729-10
0.489
LON-WEI-adc59df6-45
0.485
LON-WEI-adc59df6-4
0.485
LON-WEI-adc59df6-43
0.485
LON-WEI-adc59df6-20
0.485
LON-WEI-b8d98729-12
0.485
ERI-UCB-fbdd3ea1-15
0.484
PAU-WEI-5b8d5051-1
0.480
LON-WEI-adc59df6-47
0.480