Molecular Properties | |
SMILES: | C=CC(=O)N(c1ccc(C(F)(F)F)cc1)C(C(=O)Nc1ccccn1)c1cccnc1 |
MW: | 426.398 |
Fraction sp3: | 0.09 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 75.19 |
cLogP: | 4.3944 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-1
RAL-MED-9a5eb9cb-9
0.716
LON-WEI-b8d98729-41
0.702
RAL-MED-9a5eb9cb-10
0.692
NIM-NMI-8bb27a2b-17
0.671
NIM-NMI-8bb27a2b-22
0.671
ERI-UCB-fbdd3ea1-4
0.667
RAL-MED-9a5eb9cb-12
0.667
RAL-MED-9a5eb9cb-15
0.659
LON-WEI-b8d98729-27
0.648
NIM-NMI-8bb27a2b-15
0.644
NIM-NMI-8bb27a2b-25
0.633
NIM-NMI-8bb27a2b-26
0.630
RAL-MED-9a5eb9cb-11
0.628
NIM-NMI-8bb27a2b-19
0.628
NIM-NMI-8bb27a2b-24
0.628
NIM-NMI-8bb27a2b-21
0.626
NIM-NMI-8bb27a2b-16
0.621
ERI-UCB-fbdd3ea1-2
0.620
ERI-UCB-fbdd3ea1-1
0.620
LON-WEI-b8d98729-39
0.620
NIM-NMI-8bb27a2b-20
0.618
LON-WEI-adc59df6-15
0.615
LON-WEI-adc59df6-42
0.609
LON-WEI-b8d98729-37
0.606
LON-WEI-adc59df6-3
0.605
LON-WEI-adc59df6-21
0.602
NIM-NMI-8bb27a2b-18
0.600
NIM-NMI-8bb27a2b-23
0.600
LON-WEI-adc59df6-41
0.596
LON-WEI-adc59df6-30
0.595
LON-WEI-adc59df6-18
0.593
LON-WEI-8f408cad-8
0.590
NIM-NMI-8bb27a2b-28
0.587
LON-WEI-adc59df6-14
0.586
LON-WEI-adc59df6-44
0.581
LON-WEI-adc59df6-34
0.581
LON-WEI-adc59df6-46
0.576
LON-WEI-adc59df6-35
0.573
LON-WEI-d1c9908a-7
0.571
LON-WEI-adc59df6-31
0.568
LON-WEI-adc59df6-33
0.564
LON-WEI-adc59df6-37
0.564
LON-WEI-babf2c61-9
0.562
LON-WEI-adc59df6-8
0.560
LON-WEI-adc59df6-16
0.558
LON-WEI-d1c9908a-9
0.558
NIM-NMI-8bb27a2b-27
0.557
LON-WEI-adc59df6-5
0.553
LON-WEI-adc59df6-29
0.551
LON-WEI-adc59df6-9
0.547
LON-WEI-d1c9908a-12
0.547
LON-WEI-adc59df6-12
0.547
LON-WEI-d1c9908a-10
0.547
LON-WEI-adc59df6-91
0.544
LON-WEI-adc59df6-43
0.541
LON-WEI-adc59df6-17
0.538
LON-WEI-adc59df6-26
0.538
LON-WEI-adc59df6-36
0.538
LON-WEI-adc59df6-40
0.538
LON-WEI-d1c9908a-3
0.536
LON-WEI-adc59df6-28
0.533
LON-WEI-adc59df6-39
0.532
LON-WEI-adc59df6-24
0.531
LON-WEI-adc59df6-27
0.527
RIT-AID-af4ac3d4-1
0.526
LON-WEI-adc59df6-4
0.525
LON-WEI-adc59df6-45
0.525
LON-WEI-adc59df6-13
0.524
LON-WEI-adc59df6-10
0.521
LON-WEI-b8d98729-35
0.521
LON-WEI-adc59df6-23
0.521
LON-WEI-adc59df6-82
0.516
LON-WEI-b8d98729-33
0.515
RAL-MED-9a5eb9cb-4
0.515
LON-WEI-adc59df6-11
0.515
LON-WEI-adc59df6-1
0.510
LON-WEI-adc59df6-20
0.510
LON-WEI-adc59df6-80
0.506
LON-WEI-adc59df6-2
0.505
LON-WEI-adc59df6-47
0.505
PAU-WEI-5b8d5051-1
0.505
LON-POS-586a7c45-1
0.505
LON-WEI-adc59df6-38
0.505
LON-WEI-b8d98729-36
0.500
LON-WEI-b8d98729-7
0.500
LON-WEI-adc59df6-22
0.500
LON-WEI-adc59df6-7
0.495
RAL-MED-9a5eb9cb-5
0.490
LON-WEI-adc59df6-32
0.490
LON-WEI-adc59df6-19
0.490
LON-WEI-b8d98729-19
0.490
LON-WEI-adc59df6-6
0.485
LON-WEI-adc59df6-25
0.485
BRU-LEF-973da26b-1
0.484
WIL-UNI-a125ac6f-1
0.484
LON-WEI-b8d98729-6
0.484
LON-WEI-b8d98729-12
0.480
LON-WEI-b8d98729-24
0.474
JAN-GHE-d851b096-4
0.474
RAL-MED-9a5eb9cb-3
0.474