Molecular Properties | |
SMILES: | C=CC(=O)N(c1ccc(C(F)(F)F)cc1)C(C(=O)NC(C)(C)C)c1cccnc1 |
MW: | 405.42 |
Fraction sp3: | 0.29 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 62.3 |
cLogP: | 4.2754 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Long aliphatic chain
AAR-POS-0daf6b7e-21
RAL-MED-9a5eb9cb-12
1.000
LON-WEI-8f408cad-8
0.838
LON-WEI-adc59df6-91
0.808
RAL-MED-9a5eb9cb-10
0.786
LON-WEI-adc59df6-82
0.770
LON-WEI-adc59df6-80
0.764
LON-WEI-b8d98729-7
0.753
LON-WEI-b8d98729-6
0.730
LON-WEI-d1c9908a-1
0.711
NIM-NMI-8bb27a2b-17
0.711
NIM-NMI-8bb27a2b-19
0.705
NIM-NMI-8bb27a2b-24
0.705
LON-WEI-b8d98729-10
0.701
NIM-NMI-8bb27a2b-16
0.696
RAL-MED-9a5eb9cb-15
0.696
RAL-MED-9a5eb9cb-9
0.692
NIM-NMI-8bb27a2b-23
0.691
RAL-MED-9a5eb9cb-11
0.690
NIM-NMI-8bb27a2b-22
0.688
LON-WEI-adc59df6-95
0.684
NIM-NMI-8bb27a2b-18
0.671
BRU-LEF-8bac3ce8-1
0.667
LON-WEI-b8d98729-27
0.663
LON-WEI-adc59df6-3
0.662
LON-WEI-adc59df6-78
0.659
NIM-NMI-8bb27a2b-15
0.659
LON-WEI-b8d98729-41
0.659
LON-WEI-adc59df6-21
0.658
NIM-NMI-8bb27a2b-20
0.651
LON-WEI-adc59df6-87
0.651
ERI-UCB-fbdd3ea1-15
0.650
ERI-UCB-fbdd3ea1-16
0.646
LON-WEI-b8d98729-32
0.646
LON-WEI-adc59df6-79
0.642
LON-WEI-adc59df6-70
0.641
NIM-NMI-8bb27a2b-21
0.640
LON-WEI-adc59df6-73
0.637
NIM-NMI-8bb27a2b-28
0.635
LON-WEI-adc59df6-83
0.635
ERI-UCB-fbdd3ea1-17
0.634
ERI-UCB-fbdd3ea1-2
0.632
LON-WEI-b8d98729-39
0.632
ERI-UCB-fbdd3ea1-1
0.632
LON-WEI-adc59df6-30
0.628
NIM-NMI-8bb27a2b-25
0.628
LON-WEI-babf2c61-9
0.625
JAN-GHE-d851b096-8
0.625
LON-WEI-8f408cad-9
0.622
LON-WEI-b8d98729-37
0.618
LON-WEI-adc59df6-31
0.617
LON-WEI-adc59df6-44
0.613
LON-WEI-adc59df6-101
0.610
LON-WEI-adc59df6-15
0.609
LON-WEI-adc59df6-41
0.607
NIM-NMI-8bb27a2b-26
0.607
LON-WEI-adc59df6-100
0.605
LON-WEI-adc59df6-74
0.602
LON-WEI-adc59df6-35
0.602
LON-WEI-adc59df6-60
0.600
NIM-NMI-8bb27a2b-27
0.600
LON-WEI-adc59df6-29
0.598
LON-WEI-adc59df6-14
0.598
LON-WEI-adc59df6-103
0.595
LON-WEI-adc59df6-68
0.593
RIT-AID-a497c99f-1
0.592
LON-WEI-adc59df6-84
0.588
LON-WEI-adc59df6-104
0.586
LON-WEI-adc59df6-26
0.583
LON-WEI-adc59df6-17
0.583
LON-WEI-adc59df6-42
0.583
LON-WEI-adc59df6-36
0.581
LON-WEI-adc59df6-85
0.581
LON-WEI-b8d98729-31
0.580
LON-WEI-adc59df6-28
0.576
LON-WEI-adc59df6-8
0.570
LON-WEI-adc59df6-27
0.570
LON-WEI-adc59df6-65
0.568
LON-WEI-adc59df6-46
0.568
LON-WEI-adc59df6-81
0.568
LON-WEI-d1c9908a-7
0.563
LON-WEI-adc59df6-40
0.563
LON-WEI-adc59df6-10
0.563
LON-WEI-adc59df6-23
0.562
LON-WEI-adc59df6-39
0.557
LON-WEI-adc59df6-33
0.556
LON-WEI-adc59df6-88
0.554
ERI-UCB-fbdd3ea1-13
0.553
LON-WEI-adc59df6-1
0.551
LON-WEI-adc59df6-20
0.551
RIT-AID-af4ac3d4-1
0.551
LON-WEI-adc59df6-18
0.551
LON-WEI-adc59df6-16
0.549
LON-WEI-d1c9908a-9
0.549
LON-WEI-adc59df6-53
0.549
LON-WEI-adc59df6-54
0.549
LON-WEI-adc59df6-102
0.548
LON-WEI-b8d98729-23
0.548
ERI-UCB-fbdd3ea1-11
0.548
LON-WEI-b8d98729-35
0.544
LON-WEI-adc59df6-5
0.544