Molecular Properties | |
SMILES: | C=CC(=O)N(c1ccc(C(F)(F)F)cc1)C(C(N)=O)c1cccnc1 |
MW: | 349.312 |
Fraction sp3: | 0.12 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 76.29 |
cLogP: | 2.846 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
AAR-POS-0daf6b7e-21
RAL-MED-9a5eb9cb-10
0.746
RAL-MED-9a5eb9cb-12
0.690
ERI-UCB-fbdd3ea1-4
0.690
RAL-MED-9a5eb9cb-9
0.676
NIM-NMI-8bb27a2b-17
0.671
NIM-NMI-8bb27a2b-19
0.645
NIM-NMI-8bb27a2b-24
0.645
RAL-MED-9a5eb9cb-15
0.636
NIM-NMI-8bb27a2b-16
0.636
NIM-NMI-8bb27a2b-18
0.633
NIM-NMI-8bb27a2b-22
0.628
BRU-LEF-8bac3ce8-1
0.628
LON-WEI-b8d98729-27
0.625
NIM-NMI-8bb27a2b-15
0.620
LON-WEI-b8d98729-41
0.620
NIM-NMI-8bb27a2b-20
0.613
NIM-NMI-8bb27a2b-23
0.613
NIM-NMI-8bb27a2b-25
0.610
NIM-NMI-8bb27a2b-26
0.607
NIM-NMI-8bb27a2b-28
0.598
LON-WEI-adc59df6-3
0.597
NIM-NMI-8bb27a2b-21
0.583
ERI-UCB-fbdd3ea1-2
0.576
ERI-UCB-fbdd3ea1-1
0.576
LON-WEI-b8d98729-39
0.576
LON-WEI-adc59df6-21
0.573
LON-WEI-babf2c61-9
0.570
LON-WEI-b8d98729-37
0.563
NIM-NMI-8bb27a2b-27
0.563
LON-WEI-8f408cad-8
0.560
LON-WEI-adc59df6-15
0.553
LON-WEI-adc59df6-91
0.550
LON-WEI-adc59df6-30
0.545
LON-WEI-adc59df6-31
0.537
LON-WEI-adc59df6-44
0.532
LON-WEI-adc59df6-41
0.530
LON-WEI-adc59df6-14
0.519
LON-WEI-adc59df6-82
0.519
LON-WEI-adc59df6-29
0.519
LON-WEI-adc59df6-46
0.512
LON-WEI-adc59df6-80
0.506
LON-WEI-adc59df6-17
0.506
LON-WEI-adc59df6-26
0.506
LON-WEI-adc59df6-35
0.506
LON-WEI-adc59df6-42
0.506
LON-WEI-adc59df6-36
0.506
LON-WEI-d1c9908a-7
0.506
LON-WEI-b8d98729-7
0.500
RAL-MED-9a5eb9cb-4
0.500
LON-WEI-adc59df6-28
0.500
RIT-AID-af4ac3d4-1
0.494
LON-WEI-adc59df6-8
0.494
LON-WEI-adc59df6-27
0.494
LON-WEI-adc59df6-2
0.489
LON-WEI-adc59df6-5
0.489
LON-WEI-adc59df6-23
0.489
LON-WEI-b8d98729-35
0.489
LON-WEI-adc59df6-10
0.488
LON-WEI-adc59df6-40
0.488
LON-WEI-adc59df6-12
0.483
LON-WEI-b8d98729-33
0.483
LON-WEI-adc59df6-33
0.483
LON-WEI-adc59df6-37
0.483
LON-WEI-adc59df6-39
0.483
WIL-UNI-a125ac6f-1
0.482
LON-WEI-b8d98729-6
0.481
LON-WEI-adc59df6-16
0.478
LON-WEI-d1c9908a-9
0.478
LON-WEI-adc59df6-7
0.478
LON-WEI-adc59df6-18
0.477
LON-WEI-adc59df6-20
0.477
LON-WEI-adc59df6-1
0.477
RAL-MED-9a5eb9cb-5
0.473
LON-WEI-adc59df6-47
0.473
PAU-WEI-5b8d5051-1
0.473
LON-POS-586a7c45-1
0.473
LON-WEI-adc59df6-95
0.471
LON-WEI-d1c9908a-1
0.470
LON-WEI-adc59df6-24
0.467
LON-WEI-adc59df6-25
0.467
LON-WEI-adc59df6-22
0.467
LON-WEI-d1c9908a-10
0.467
LON-WEI-adc59df6-9
0.467
LON-WEI-adc59df6-34
0.467
LON-WEI-d1c9908a-12
0.467
LON-WEI-b8d98729-10
0.464
LON-WEI-adc59df6-43
0.462
LON-WEI-adc59df6-4
0.462
ERI-UCB-fbdd3ea1-16
0.460
ERI-UCB-fbdd3ea1-15
0.459
LON-WEI-adc59df6-19
0.457
LON-WEI-d1c9908a-3
0.457
LON-WEI-adc59df6-32
0.457
LON-WEI-adc59df6-11
0.453
LON-WEI-b8d98729-36
0.453
LON-WEI-adc59df6-6
0.452
RAL-MED-9a5eb9cb-1
0.449
ERI-UCB-fbdd3ea1-17
0.448
BRU-LEF-973da26b-1
0.448
LON-WEI-adc59df6-45
0.447