Molecular Properties | |
SMILES: | C=CC(=O)N(c1ccc(C(F)(F)F)cc1)C(C(=O)NC)c1cccnc1 |
MW: | 363.339 |
Fraction sp3: | 0.17 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 62.3 |
cLogP: | 3.1067 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Long aliphatic chain
AAR-POS-0daf6b7e-21
LON-WEI-adc59df6-3
0.818
RAL-MED-9a5eb9cb-12
0.786
ERI-UCB-fbdd3ea1-4
0.786
RAL-MED-9a5eb9cb-11
0.746
RAL-MED-9a5eb9cb-9
0.743
NIM-NMI-8bb27a2b-17
0.740
NIM-NMI-8bb27a2b-24
0.733
NIM-NMI-8bb27a2b-19
0.733
NIM-NMI-8bb27a2b-16
0.724
NIM-NMI-8bb27a2b-22
0.714
LON-WEI-b8d98729-27
0.709
RAL-MED-9a5eb9cb-15
0.701
NIM-NMI-8bb27a2b-18
0.696
NIM-NMI-8bb27a2b-23
0.696
BRU-LEF-8bac3ce8-1
0.692
NIM-NMI-8bb27a2b-15
0.684
LON-WEI-b8d98729-41
0.684
NIM-NMI-8bb27a2b-20
0.675
NIM-NMI-8bb27a2b-25
0.671
NIM-NMI-8bb27a2b-26
0.667
NIM-NMI-8bb27a2b-21
0.663
LON-WEI-adc59df6-21
0.662
NIM-NMI-8bb27a2b-28
0.659
ERI-UCB-fbdd3ea1-1
0.655
ERI-UCB-fbdd3ea1-2
0.655
LON-WEI-b8d98729-39
0.655
LON-WEI-8f408cad-8
0.649
LON-WEI-babf2c61-9
0.647
LON-WEI-b8d98729-37
0.640
LON-WEI-adc59df6-91
0.633
LON-WEI-adc59df6-30
0.632
LON-WEI-adc59df6-15
0.631
NIM-NMI-8bb27a2b-27
0.621
LON-WEI-adc59df6-31
0.620
LON-WEI-adc59df6-44
0.615
LON-WEI-adc59df6-41
0.610
LON-WEI-adc59df6-82
0.600
LON-WEI-adc59df6-14
0.600
LON-WEI-adc59df6-29
0.600
LON-WEI-adc59df6-80
0.590
LON-WEI-adc59df6-46
0.588
LON-WEI-adc59df6-17
0.585
LON-WEI-adc59df6-42
0.585
LON-WEI-adc59df6-26
0.585
LON-WEI-adc59df6-35
0.585
LON-WEI-adc59df6-36
0.583
LON-WEI-d1c9908a-7
0.583
LON-WEI-b8d98729-7
0.582
LON-WEI-adc59df6-28
0.578
LON-WEI-adc59df6-8
0.571
LON-WEI-adc59df6-27
0.571
RIT-AID-af4ac3d4-1
0.570
LON-WEI-adc59df6-10
0.565
LON-WEI-adc59df6-40
0.565
LON-WEI-adc59df6-23
0.563
LON-WEI-adc59df6-5
0.563
LON-WEI-b8d98729-35
0.563
LON-WEI-b8d98729-6
0.562
LON-WEI-adc59df6-39
0.558
LON-WEI-adc59df6-12
0.557
LON-WEI-b8d98729-33
0.557
RAL-MED-9a5eb9cb-4
0.557
LON-WEI-adc59df6-33
0.557
LON-WEI-adc59df6-37
0.557
LON-WEI-adc59df6-18
0.552
LON-WEI-adc59df6-20
0.552
LON-WEI-adc59df6-1
0.552
LON-WEI-adc59df6-16
0.551
LON-WEI-d1c9908a-9
0.551
LON-WEI-d1c9908a-1
0.549
LON-WEI-adc59df6-95
0.548
LON-WEI-adc59df6-2
0.545
PAU-WEI-5b8d5051-1
0.544
LON-WEI-adc59df6-47
0.544
LON-POS-586a7c45-1
0.544
LON-WEI-b8d98729-10
0.542
LON-WEI-adc59df6-9
0.539
LON-WEI-adc59df6-34
0.539
LON-WEI-d1c9908a-12
0.539
LON-WEI-d1c9908a-10
0.539
LON-WEI-adc59df6-22
0.539
LON-WEI-adc59df6-24
0.538
LON-WEI-adc59df6-7
0.533
LON-WEI-adc59df6-4
0.533
LON-WEI-adc59df6-43
0.533
JAN-GHE-d851b096-4
0.529
LON-WEI-adc59df6-32
0.527
LON-WEI-d1c9908a-3
0.527
LON-WEI-adc59df6-19
0.527
RAL-MED-9a5eb9cb-5
0.527
WIL-UNI-a125ac6f-1
0.524
BRU-LEF-973da26b-1
0.523
LON-WEI-adc59df6-87
0.523
LON-WEI-adc59df6-6
0.522
LON-WEI-adc59df6-25
0.522
LON-WEI-adc59df6-11
0.521
LON-WEI-b8d98729-36
0.521
ERI-UCB-fbdd3ea1-15
0.518
ERI-UCB-fbdd3ea1-16
0.517
LON-WEI-b8d98729-12
0.517