Molecular Properties | |
SMILES: | C=CC(=O)N(c1cc(C(C)(C)C)on1)C(C(=O)NC1CCN(C)CC1)c1cccnc1 |
MW: | 425.24 |
Fraction sp3: | 0.48 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 91.57 |
cLogP: | 2.84 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Long aliphatic chain
AAR-POS-d2a4d1df-1
NIM-NMI-8bb27a2b-3
0.850
ERI-UCB-fbdd3ea1-7
0.819
ERI-UCB-fbdd3ea1-6
0.800
NIM-NMI-8bb27a2b-1
0.782
ERI-UCB-fbdd3ea1-5
0.782
LON-WEI-b8d98729-23
0.667
ERI-UCB-fbdd3ea1-10
0.660
JAN-GHE-d851b096-7
0.660
ERI-UCB-fbdd3ea1-9
0.641
NIM-NMI-8bb27a2b-6
0.634
NIM-NMI-8bb27a2b-4
0.624
NIM-NMI-8bb27a2b-11
0.624
NIM-NMI-8bb27a2b-2
0.617
NIM-NMI-8bb27a2b-5
0.604
NIM-NMI-8bb27a2b-12
0.604
NIM-NMI-8bb27a2b-10
0.592
NIM-NMI-8bb27a2b-7
0.590
LON-WEI-b8d98729-46
0.590
LON-WEI-b8d98729-43
0.584
ERI-UCB-fbdd3ea1-28
0.583
NIM-NMI-8bb27a2b-13
0.580
NIM-NMI-8bb27a2b-9
0.578
NIM-NMI-8bb27a2b-8
0.578
LON-WEI-b8d98729-15
0.578
LON-WEI-babf2c61-10
0.569
NIM-NMI-8bb27a2b-14
0.558
LON-WEI-adc59df6-44
0.548
ERI-UCB-fbdd3ea1-31
0.530
ERI-UCB-fbdd3ea1-30
0.525
LON-WEI-adc59df6-14
0.521
LON-WEI-adc59df6-35
0.510
LON-WEI-adc59df6-39
0.505
ERI-UCB-fbdd3ea1-32
0.500
LON-WEI-adc59df6-8
0.500
ERI-UCB-fbdd3ea1-33
0.490
ERI-UCB-fbdd3ea1-24
0.489
ERI-UCB-fbdd3ea1-26
0.489
NIM-NMI-8bb27a2b-17
0.480
DAR-DIA-2b784ede-31
0.474
LON-WEI-adc59df6-1
0.457
RAL-MED-9a5eb9cb-15
0.447
DAR-DIA-2b784ede-35
0.445
ERI-UCB-fbdd3ea1-25
0.440
NIM-NMI-8bb27a2b-15
0.438
LON-WEI-adc59df6-6
0.436
ALP-POS-88a7a97e-12
0.434
ERI-UCB-fbdd3ea1-29
0.431
LON-WEI-babf2c61-13
0.429
LON-WEI-babf2c61-12
0.425
ERI-UCB-fbdd3ea1-34
0.425
LON-WEI-adc59df6-3
0.423
ERI-UCB-fbdd3ea1-11
0.422
LON-WEI-babf2c61-11
0.417
ALP-POS-88a7a97e-45
0.417
ALP-POS-95f71980-16
0.415
LON-WEI-adc59df6-32
0.414
LON-WEI-8f408cad-8
0.414
ERI-UCB-fbdd3ea1-13
0.413
ERI-UCB-fbdd3ea1-15
0.413
LON-WEI-adc59df6-25
0.411
LON-WEI-adc59df6-21
0.410
LON-WEI-adc59df6-42
0.410
LON-WEI-adc59df6-95
0.410
LON-WEI-adc59df6-22
0.409
ALP-POS-88a7a97e-28
0.409
LON-WEI-adc59df6-43
0.407
LON-WEI-adc59df6-4
0.407
LON-WEI-adc59df6-81
0.406
LON-WEI-adc59df6-30
0.406
ERI-UCB-fbdd3ea1-12
0.406
DAR-DIA-2b784ede-32
0.406
LON-WEI-adc59df6-16
0.405
LON-WEI-adc59df6-29
0.404
LON-WEI-adc59df6-31
0.404
DAR-DIA-2b784ede-33
0.404
LON-WEI-adc59df6-46
0.404
LON-WEI-babf2c61-14
0.403
LON-WEI-b8d98729-7
0.402
LON-WEI-adc59df6-19
0.402
LON-WEI-adc59df6-5
0.400
LON-WEI-adc59df6-85
0.398
LON-WEI-adc59df6-15
0.396
ERI-UCB-fbdd3ea1-27
0.396
LON-WEI-adc59df6-26
0.396
ALP-POS-88a7a97e-9
0.395
ERI-UCB-fbdd3ea1-17
0.393
LON-WEI-adc59df6-73
0.390
LON-WEI-d1c9908a-3
0.389
BRU-THA-40a53a3c-1
0.389
LON-WEI-adc59df6-41
0.389
LON-WEI-adc59df6-11
0.388
LON-WEI-adc59df6-83
0.387
LON-WEI-adc59df6-101
0.387
DAR-DIA-2b784ede-36
0.387
LON-WEI-adc59df6-24
0.386
LON-WEI-d1c9908a-7
0.385
DAR-DIA-2b784ede-34
0.385
LON-WEI-adc59df6-12
0.384
LON-WEI-adc59df6-33
0.384
LON-WEI-adc59df6-34
0.384