Molecular Properties | |
SMILES: | C=CC(=O)N(c1cc(C(C)(C)C)on1)C(C(=O)NC1CCC1)c1cccnc1 |
MW: | 382.2 |
Fraction sp3: | 0.43 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 88.33 |
cLogP: | 3.3 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Long aliphatic chain
AAR-POS-d2a4d1df-1
ERI-UCB-fbdd3ea1-6
0.947
NIM-NMI-8bb27a2b-3
0.932
ERI-UCB-fbdd3ea1-5
0.922
NIM-NMI-8bb27a2b-1
0.922
ERI-UCB-fbdd3ea1-8
0.819
JAN-GHE-d851b096-7
0.774
LON-WEI-b8d98729-23
0.725
NIM-NMI-8bb27a2b-6
0.686
ERI-UCB-fbdd3ea1-9
0.674
NIM-NMI-8bb27a2b-4
0.674
NIM-NMI-8bb27a2b-11
0.674
NIM-NMI-8bb27a2b-2
0.667
NIM-NMI-8bb27a2b-5
0.652
NIM-NMI-8bb27a2b-12
0.652
NIM-NMI-8bb27a2b-10
0.637
NIM-NMI-8bb27a2b-7
0.634
LON-WEI-b8d98729-46
0.634
LON-WEI-b8d98729-43
0.628
ERI-UCB-fbdd3ea1-28
0.625
NIM-NMI-8bb27a2b-13
0.624
LON-WEI-b8d98729-15
0.621
NIM-NMI-8bb27a2b-8
0.621
ERI-UCB-fbdd3ea1-10
0.621
NIM-NMI-8bb27a2b-9
0.621
LON-WEI-adc59df6-14
0.616
LON-WEI-babf2c61-10
0.611
NIM-NMI-8bb27a2b-14
0.598
LON-WEI-adc59df6-35
0.584
LON-WEI-adc59df6-44
0.575
LON-WEI-adc59df6-8
0.571
ERI-UCB-fbdd3ea1-31
0.570
ERI-UCB-fbdd3ea1-30
0.565
ERI-UCB-fbdd3ea1-26
0.529
ERI-UCB-fbdd3ea1-24
0.529
ERI-UCB-fbdd3ea1-33
0.528
RAL-MED-9a5eb9cb-15
0.527
LON-WEI-adc59df6-39
0.526
ERI-UCB-fbdd3ea1-32
0.520
NIM-NMI-8bb27a2b-17
0.516
NIM-NMI-8bb27a2b-15
0.516
DAR-DIA-2b784ede-31
0.511
ERI-UCB-fbdd3ea1-25
0.489
DAR-DIA-2b784ede-35
0.476
LON-WEI-adc59df6-1
0.475
ALP-POS-88a7a97e-45
0.475
ERI-UCB-fbdd3ea1-29
0.463
LON-WEI-babf2c61-13
0.457
LON-WEI-babf2c61-12
0.453
LON-WEI-adc59df6-6
0.452
ALP-POS-88a7a97e-28
0.451
ALP-POS-88a7a97e-12
0.450
LON-WEI-babf2c61-11
0.444
ERI-UCB-fbdd3ea1-15
0.443
LON-WEI-adc59df6-32
0.442
ALP-POS-95f71980-16
0.441
LON-WEI-adc59df6-21
0.441
LON-WEI-adc59df6-3
0.440
ERI-UCB-fbdd3ea1-34
0.439
LON-WEI-adc59df6-81
0.436
DAR-DIA-2b784ede-32
0.434
DAR-DIA-2b784ede-33
0.433
LON-WEI-8f408cad-8
0.430
ERI-UCB-fbdd3ea1-13
0.429
LON-WEI-babf2c61-14
0.429
BRU-THA-40a53a3c-1
0.429
LON-WEI-adc59df6-95
0.424
JAN-GHE-76def03c-3
0.423
ERI-UCB-fbdd3ea1-27
0.423
ERI-UCB-fbdd3ea1-11
0.423
LON-WEI-adc59df6-30
0.421
LON-WEI-adc59df6-43
0.421
LON-WEI-adc59df6-4
0.421
ERI-UCB-fbdd3ea1-12
0.420
LON-WEI-adc59df6-16
0.419
LON-WEI-adc59df6-73
0.418
LON-WEI-adc59df6-46
0.417
LON-WEI-adc59df6-70
0.417
BRU-LEF-e1854a6f-1
0.416
LON-WEI-adc59df6-19
0.415
LON-WEI-adc59df6-101
0.414
LON-WEI-adc59df6-5
0.413
LON-WEI-adc59df6-83
0.413
LON-WEI-adc59df6-85
0.412
LON-WEI-adc59df6-24
0.411
DAR-DIA-2b784ede-36
0.411
LON-WEI-adc59df6-42
0.410
LON-WEI-8f408cad-9
0.410
LON-WEI-adc59df6-26
0.410
LON-WEI-adc59df6-15
0.410
LON-WEI-adc59df6-37
0.410
DAR-DIA-2b784ede-34
0.409
LON-WEI-d1c9908a-1
0.408
LON-WEI-b8d98729-32
0.408
JAN-GHE-d851b096-8
0.408
ALP-POS-88a7a97e-9
0.407
LON-WEI-adc59df6-102
0.407
LON-WEI-adc59df6-80
0.406
ERI-UCB-fbdd3ea1-17
0.406
LON-WEI-adc59df6-31
0.404
LON-WEI-adc59df6-29
0.404