Molecular Properties | |
SMILES: | C=CC(=O)N(c1ccc(C(F)(F)F)cc1)C(C(=O)Nc1ccc(OC(F)(F)F)cc1)c1cccnc1 |
MW: | 509.12 |
Fraction sp3: | 0.12 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 71.53 |
cLogP: | 5.9 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
high halogen content (>3)
AAR-POS-d2a4d1df-11
LON-WEI-b8d98729-27
0.829
RAL-MED-9a5eb9cb-9
0.756
LON-WEI-d1c9908a-7
0.721
RIT-AID-af4ac3d4-1
0.685
RAL-MED-9a5eb9cb-10
0.671
LON-WEI-adc59df6-41
0.670
RAL-MED-9a5eb9cb-4
0.670
NIM-NMI-8bb27a2b-26
0.667
BRU-LEF-973da26b-1
0.640
RAL-MED-9a5eb9cb-5
0.635
LON-WEI-adc59df6-15
0.634
BRU-LEF-8bac3ce8-1
0.633
NIM-NMI-8bb27a2b-22
0.633
NIM-NMI-8bb27a2b-17
0.632
LON-WEI-b8d98729-12
0.630
RAL-MED-9a5eb9cb-12
0.628
ERI-UCB-fbdd3ea1-4
0.628
LON-WEI-b8d98729-41
0.626
LON-WEI-b8d98729-37
0.625
LON-WEI-adc59df6-13
0.620
LON-WEI-b8d98729-47
0.620
NIM-NMI-8bb27a2b-8
0.612
RAL-MED-9a5eb9cb-3
0.611
NIM-NMI-8bb27a2b-19
0.611
RAL-MED-9a5eb9cb-11
0.610
LON-WEI-b8d98729-35
0.606
RAL-MED-9a5eb9cb-15
0.604
RAL-MED-9a5eb9cb-1
0.602
LON-WEI-d1c9908a-5
0.600
LON-WEI-b8d98729-33
0.600
NIM-NMI-8bb27a2b-21
0.594
NIM-NMI-8bb27a2b-24
0.593
NIM-NMI-8bb27a2b-15
0.591
ERI-UCB-fbdd3ea1-2
0.588
ERI-UCB-fbdd3ea1-1
0.588
LON-WEI-b8d98729-39
0.588
NIM-NMI-8bb27a2b-16
0.587
NIM-NMI-8bb27a2b-18
0.585
NIM-NMI-8bb27a2b-23
0.585
LON-WEI-adc59df6-12
0.583
LON-WEI-adc59df6-37
0.583
LON-WEI-adc59df6-46
0.579
LON-WEI-b8d98729-22
0.573
WIL-UNI-a125ac6f-1
0.571
LON-WEI-adc59df6-3
0.570
NIM-NMI-8bb27a2b-20
0.568
LON-WEI-adc59df6-24
0.566
LON-WEI-b8d98729-24
0.558
NIM-NMI-8bb27a2b-28
0.557
LON-WEI-adc59df6-5
0.557
LON-WEI-adc59df6-21
0.551
LON-WEI-babf2c61-9
0.550
LON-WEI-d1c9908a-11
0.546
LON-WEI-adc59df6-4
0.545
LON-WEI-adc59df6-43
0.545
LON-WEI-adc59df6-30
0.544
LON-WEI-adc59df6-42
0.543
JAN-GHE-d851b096-4
0.542
LON-WEI-d1c9908a-2
0.541
LON-WEI-8f408cad-10
0.540
LON-WEI-d1c9908a-3
0.540
LON-WEI-8f408cad-8
0.539
LON-WEI-adc59df6-11
0.534
LON-WEI-adc59df6-44
0.533
LON-WEI-adc59df6-18
0.531
LON-WEI-adc59df6-16
0.530
NIM-NMI-8bb27a2b-27
0.529
LON-WEI-adc59df6-45
0.529
LON-WEI-adc59df6-14
0.521
LON-WEI-adc59df6-31
0.521
LON-WEI-adc59df6-9
0.520
LON-WEI-adc59df6-33
0.520
LON-WEI-adc59df6-91
0.516
BRU-LEF-e1854a6f-1
0.515
LON-WEI-d1c9908a-9
0.515
LON-WEI-adc59df6-35
0.510
LON-WEI-adc59df6-26
0.510
LON-WEI-b8d98729-25
0.509
LON-WEI-adc59df6-38
0.509
LON-WEI-adc59df6-29
0.505
LON-WEI-d1c9908a-10
0.505
LON-WEI-d1c9908a-12
0.505
LON-WEI-adc59df6-34
0.505
RAL-MED-9a5eb9cb-6
0.500
LON-WEI-adc59df6-8
0.500
LON-WEI-adc59df6-27
0.500
LON-WEI-adc59df6-36
0.495
LON-WEI-adc59df6-17
0.495
RAL-MED-9a5eb9cb-14
0.495
LON-WEI-b8d98729-17
0.491
LON-WEI-b8d98729-36
0.491
LON-WEI-b8d98729-11
0.490
LON-WEI-b8d98729-14
0.490
LON-WEI-adc59df6-39
0.490
LON-WEI-adc59df6-28
0.490
LON-WEI-adc59df6-82
0.490
LON-WEI-adc59df6-7
0.485
LON-WEI-adc59df6-1
0.485
LON-POS-586a7c45-1
0.481
PAU-WEI-5b8d5051-1
0.481