Molecular Properties | |
SMILES: | C=CC(=O)N(c1ccc(C(F)(F)F)cc1)C(C(=O)NC1CCCCC1)c1cccnc1 |
MW: | 431.18 |
Fraction sp3: | 0.35 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 62.3 |
cLogP: | 4.81 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Long aliphatic chain
AAR-POS-d2a4d1df-11
RAL-MED-9a5eb9cb-15
0.945
NIM-NMI-8bb27a2b-17
0.865
LON-WEI-adc59df6-8
0.833
LON-WEI-adc59df6-35
0.785
LON-WEI-adc59df6-14
0.759
LON-WEI-adc59df6-44
0.713
RAL-MED-9a5eb9cb-10
0.684
RAL-MED-9a5eb9cb-12
0.659
ERI-UCB-fbdd3ea1-4
0.659
LON-WEI-adc59df6-39
0.648
RAL-MED-9a5eb9cb-9
0.647
BRU-LEF-8bac3ce8-1
0.644
NIM-NMI-8bb27a2b-22
0.625
NIM-NMI-8bb27a2b-24
0.621
NIM-NMI-8bb27a2b-19
0.621
RAL-MED-9a5eb9cb-11
0.620
JAN-GHE-d851b096-7
0.620
LON-WEI-b8d98729-41
0.618
NIM-NMI-8bb27a2b-16
0.614
LON-WEI-b8d98729-27
0.604
NIM-NMI-8bb27a2b-18
0.593
NIM-NMI-8bb27a2b-20
0.593
NIM-NMI-8bb27a2b-23
0.593
NIM-NMI-8bb27a2b-25
0.591
LON-WEI-adc59df6-1
0.587
NIM-NMI-8bb27a2b-21
0.585
NIM-NMI-8bb27a2b-28
0.581
LON-WEI-b8d98729-39
0.579
ERI-UCB-fbdd3ea1-2
0.579
ERI-UCB-fbdd3ea1-1
0.579
LON-WEI-adc59df6-21
0.576
ERI-UCB-fbdd3ea1-5
0.574
NIM-NMI-8bb27a2b-1
0.574
NIM-NMI-8bb27a2b-26
0.573
LON-WEI-adc59df6-6
0.573
LON-WEI-b8d98729-37
0.567
LON-WEI-adc59df6-3
0.560
LON-WEI-babf2c61-9
0.557
NIM-NMI-8bb27a2b-27
0.551
LON-WEI-8f408cad-8
0.547
BRU-THA-40a53a3c-1
0.546
LON-WEI-adc59df6-15
0.542
LON-WEI-adc59df6-91
0.538
ERI-UCB-fbdd3ea1-6
0.537
LON-WEI-adc59df6-30
0.534
LON-WEI-b8d98729-7
0.528
LON-WEI-adc59df6-31
0.527
LON-WEI-adc59df6-41
0.521
LON-WEI-adc59df6-26
0.516
LON-WEI-adc59df6-42
0.516
ERI-UCB-fbdd3ea1-7
0.516
LON-WEI-adc59df6-32
0.515
LON-WEI-adc59df6-29
0.511
LON-WEI-adc59df6-82
0.511
ALP-POS-88a7a97e-28
0.510
LON-WEI-adc59df6-22
0.510
LON-WEI-adc59df6-37
0.510
LON-WEI-adc59df6-46
0.505
LON-WEI-adc59df6-17
0.500
LON-WEI-adc59df6-5
0.500
LON-WEI-adc59df6-80
0.500
LON-WEI-adc59df6-19
0.500
LON-WEI-adc59df6-36
0.500
LON-WEI-d1c9908a-7
0.500
LON-WEI-adc59df6-24
0.495
LON-WEI-adc59df6-25
0.495
LON-WEI-adc59df6-33
0.495
LON-WEI-adc59df6-28
0.495
LON-WEI-adc59df6-16
0.490
LON-WEI-d1c9908a-9
0.490
ALP-POS-88a7a97e-45
0.490
RIT-AID-af4ac3d4-1
0.490
LON-WEI-adc59df6-18
0.490
LON-WEI-adc59df6-27
0.490
JAN-GHE-76def03c-1
0.485
LON-WEI-b8d98729-35
0.485
LON-WEI-adc59df6-23
0.485
LON-WEI-adc59df6-40
0.485
LON-WEI-adc59df6-10
0.485
NIM-NMI-8bb27a2b-3
0.484
LON-WEI-adc59df6-95
0.484
LON-WEI-d1c9908a-1
0.484
LON-WEI-adc59df6-11
0.481
LON-WEI-adc59df6-9
0.480
LON-WEI-d1c9908a-10
0.480
LON-WEI-d1c9908a-12
0.480
JAN-GHE-76def03c-3
0.480
LON-WEI-b8d98729-33
0.480
RAL-MED-9a5eb9cb-4
0.480
LON-WEI-adc59df6-12
0.480
LON-WEI-adc59df6-34
0.480
LON-WEI-b8d98729-6
0.478
LON-WEI-adc59df6-4
0.476
LON-WEI-adc59df6-45
0.476
LON-WEI-adc59df6-43
0.476
LON-WEI-b8d98729-12
0.475
LON-WEI-adc59df6-20
0.475
LON-WEI-adc59df6-47
0.471
LON-WEI-d1c9908a-3
0.471
LON-POS-586a7c45-1
0.471