Molecular Properties | |
SMILES: | C=CC(=O)N(c1ccc(C(F)(F)F)cc1)C(C(=O)NCC(=O)OC)c1cccnc1 |
MW: | 421.12 |
Fraction sp3: | 0.2 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 88.6 |
cLogP: | 2.65 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Ester
Long aliphatic chain
AAR-POS-d2a4d1df-11
NIM-NMI-8bb27a2b-18
0.821
NIM-NMI-8bb27a2b-23
0.821
NIM-NMI-8bb27a2b-24
0.747
NIM-NMI-8bb27a2b-16
0.738
RAL-MED-9a5eb9cb-10
0.733
RAL-MED-9a5eb9cb-12
0.705
ERI-UCB-fbdd3ea1-4
0.705
NIM-NMI-8bb27a2b-20
0.690
NIM-NMI-8bb27a2b-28
0.674
NIM-NMI-8bb27a2b-17
0.667
LON-WEI-babf2c61-9
0.663
LON-WEI-b8d98729-27
0.663
RAL-MED-9a5eb9cb-9
0.651
LON-WEI-adc59df6-30
0.650
NIM-NMI-8bb27a2b-22
0.647
RAL-MED-9a5eb9cb-11
0.645
LON-WEI-adc59df6-26
0.643
NIM-NMI-8bb27a2b-27
0.637
RAL-MED-9a5eb9cb-15
0.635
BRU-LEF-8bac3ce8-1
0.628
LON-WEI-adc59df6-27
0.628
NIM-NMI-8bb27a2b-15
0.621
LON-WEI-b8d98729-41
0.621
LON-WEI-adc59df6-36
0.621
LON-WEI-b8d98729-37
0.620
LON-WEI-adc59df6-29
0.619
ERI-UCB-fbdd3ea1-1
0.615
LON-WEI-b8d98729-39
0.615
ERI-UCB-fbdd3ea1-2
0.615
NIM-NMI-8bb27a2b-25
0.611
LON-WEI-adc59df6-17
0.605
NIM-NMI-8bb27a2b-21
0.604
LON-WEI-adc59df6-2
0.600
LON-WEI-adc59df6-3
0.600
LON-WEI-adc59df6-28
0.598
LON-WEI-adc59df6-21
0.598
LON-WEI-adc59df6-91
0.593
LON-WEI-adc59df6-7
0.587
LON-WEI-8f408cad-8
0.585
LON-WEI-adc59df6-40
0.584
LON-WEI-adc59df6-10
0.584
LON-WEI-adc59df6-23
0.582
LON-WEI-adc59df6-31
0.581
NIM-NMI-8bb27a2b-26
0.574
LON-WEI-adc59df6-20
0.571
NIM-NMI-8bb27a2b-11
0.567
LON-WEI-adc59df6-32
0.564
LON-POS-586a7c45-1
0.564
LON-WEI-adc59df6-47
0.564
PAU-WEI-5b8d5051-1
0.564
ALP-POS-88a7a97e-33
0.560
LON-WEI-adc59df6-15
0.559
LON-WEI-adc59df6-22
0.559
LON-WEI-adc59df6-44
0.558
LON-WEI-d1c9908a-7
0.549
LON-WEI-adc59df6-19
0.547
LON-WEI-adc59df6-14
0.545
LON-WEI-adc59df6-82
0.545
RAL-MED-9a5eb9cb-4
0.543
LON-WEI-adc59df6-37
0.543
LON-WEI-adc59df6-25
0.542
LON-WEI-adc59df6-41
0.538
LON-WEI-adc59df6-1
0.538
LON-WEI-adc59df6-18
0.538
RIT-AID-af4ac3d4-1
0.538
LON-WEI-adc59df6-80
0.535
LON-WEI-adc59df6-35
0.533
LON-WEI-adc59df6-42
0.533
LON-WEI-b8d98729-7
0.529
LON-WEI-b8d98729-10
0.528
LON-WEI-adc59df6-12
0.526
LON-WEI-adc59df6-8
0.522
LON-WEI-adc59df6-46
0.521
LON-WEI-b8d98729-35
0.516
LON-WEI-d1c9908a-3
0.515
RAL-MED-9a5eb9cb-5
0.515
LON-WEI-b8d98729-6
0.511
LON-WEI-adc59df6-39
0.511
LON-WEI-b8d98729-33
0.510
LON-WEI-adc59df6-33
0.510
LON-WEI-d1c9908a-10
0.510
LON-WEI-d1c9908a-12
0.510
LON-WEI-adc59df6-6
0.510
LON-WEI-adc59df6-24
0.510
LON-WEI-adc59df6-16
0.505
LON-WEI-d1c9908a-9
0.505
LON-WEI-adc59df6-45
0.505
LON-WEI-adc59df6-5
0.500
LON-WEI-d1c9908a-1
0.500
LON-WEI-b8d98729-36
0.495
LON-WEI-adc59df6-9
0.495
LON-WEI-adc59df6-34
0.495
RAL-MED-9a5eb9cb-1
0.495
LON-WEI-adc59df6-87
0.495
BRU-LEF-973da26b-1
0.495
LON-WEI-b8d98729-12
0.490
ERI-UCB-fbdd3ea1-16
0.489
LON-WEI-adc59df6-78
0.484
RAL-MED-9a5eb9cb-3
0.484
LON-WEI-adc59df6-95
0.484