Molecular Properties | |
SMILES: | C=CC(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)Nc1cccc(C(F)(F)F)c1)c1cccnc1 |
MW: | 481.518 |
Fraction sp3: | 0.22 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 62.3 |
cLogP: | 6.29690000000001 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-1
LON-WEI-adc59df6-46
0.786
LON-WEI-adc59df6-5
0.756
LON-WEI-adc59df6-12
0.747
LON-WEI-adc59df6-24
0.722
LON-WEI-adc59df6-41
0.690
RAL-MED-9a5eb9cb-9
0.674
LON-WEI-adc59df6-3
0.667
LON-WEI-adc59df6-11
0.663
LON-WEI-d1c9908a-7
0.663
LON-WEI-adc59df6-4
0.660
LON-WEI-adc59df6-43
0.660
LON-WEI-adc59df6-38
0.644
LON-WEI-adc59df6-21
0.643
LON-WEI-adc59df6-44
0.640
LON-WEI-adc59df6-37
0.634
NIM-NMI-8bb27a2b-25
0.634
NIM-NMI-8bb27a2b-26
0.632
RAL-MED-9a5eb9cb-10
0.631
LON-WEI-8f408cad-8
0.631
LON-WEI-b8d98729-27
0.630
LON-WEI-adc59df6-42
0.629
LON-WEI-adc59df6-33
0.617
LON-WEI-adc59df6-30
0.616
NIM-NMI-8bb27a2b-22
0.615
BRU-LEF-8bac3ce8-1
0.615
LON-WEI-adc59df6-16
0.611
LON-WEI-d1c9908a-9
0.611
ERI-UCB-fbdd3ea1-4
0.609
RAL-MED-9a5eb9cb-12
0.609
JAN-GHE-d851b096-4
0.609
LON-WEI-adc59df6-14
0.607
LON-WEI-adc59df6-31
0.607
LON-WEI-d1c9908a-10
0.600
LON-WEI-adc59df6-9
0.600
LON-WEI-adc59df6-34
0.600
LON-WEI-adc59df6-18
0.596
NIM-NMI-8bb27a2b-17
0.596
LON-WEI-adc59df6-35
0.593
LON-WEI-adc59df6-36
0.591
LON-WEI-b8d98729-41
0.591
LON-WEI-adc59df6-29
0.589
LON-WEI-d1c9908a-3
0.588
LON-WEI-adc59df6-28
0.587
LON-WEI-b8d98729-33
0.583
LON-WEI-adc59df6-8
0.581
RIT-AID-af4ac3d4-1
0.579
NIM-NMI-8bb27a2b-21
0.577
LON-WEI-adc59df6-17
0.576
LON-WEI-adc59df6-26
0.576
LON-WEI-adc59df6-45
0.576
LON-WEI-adc59df6-40
0.574
LON-WEI-adc59df6-23
0.573
LON-WEI-b8d98729-35
0.573
LON-WEI-adc59df6-13
0.573
LON-POS-586a7c45-1
0.571
ERI-UCB-fbdd3ea1-2
0.571
PAU-WEI-5b8d5051-1
0.571
LON-WEI-adc59df6-47
0.571
LON-WEI-b8d98729-39
0.571
ERI-UCB-fbdd3ea1-1
0.571
LON-WEI-adc59df6-39
0.568
LON-WEI-adc59df6-27
0.564
LON-WEI-adc59df6-20
0.562
LON-WEI-b8d98729-37
0.560
NIM-NMI-8bb27a2b-19
0.559
NIM-NMI-8bb27a2b-24
0.559
LON-WEI-adc59df6-10
0.558
LON-WEI-d1c9908a-6
0.554
RAL-MED-9a5eb9cb-15
0.553
NIM-NMI-8bb27a2b-16
0.553
RAL-MED-9a5eb9cb-11
0.553
NIM-NMI-8bb27a2b-23
0.552
LON-WEI-b8d98729-17
0.549
LON-WEI-adc59df6-91
0.548
LON-WEI-adc59df6-1
0.546
JAN-GHE-d851b096-9
0.543
NIM-NMI-8bb27a2b-15
0.542
LON-WEI-adc59df6-2
0.541
NIM-NMI-8bb27a2b-18
0.536
NIM-NMI-8bb27a2b-20
0.536
LON-WEI-d1c9908a-12
0.535
LON-WEI-adc59df6-22
0.535
LON-WEI-babf2c61-9
0.535
LON-WEI-adc59df6-7
0.530
NIM-NMI-8bb27a2b-27
0.529
LON-WEI-b8d98729-24
0.526
NIM-NMI-8bb27a2b-28
0.525
LON-WEI-adc59df6-19
0.525
LON-WEI-adc59df6-32
0.525
LON-WEI-adc59df6-82
0.521
BRU-LEF-973da26b-1
0.521
LON-WEI-adc59df6-6
0.520
LON-WEI-adc59df6-25
0.520
LON-WEI-b8d98729-36
0.519
LON-WEI-b8d98729-12
0.515
LON-WEI-adc59df6-80
0.511
LON-WEI-d1c9908a-2
0.510
LON-WEI-b8d98729-22
0.510
LON-WEI-b8d98729-7
0.505
LON-WEI-b8d98729-47
0.505