Molecular Properties | |
SMILES: | C=CC(=O)N(c1cc(C(C)(C)C)on1)C(C(=O)Nc1c(C)cccc1Cl)c1cccnc1 |
MW: | 452.16 |
Fraction sp3: | 0.25 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 88.33 |
cLogP: | 5.23 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-11
NIM-NMI-8bb27a2b-6
0.821
LON-WEI-b8d98729-46
0.758
LON-WEI-b8d98729-23
0.659
NIM-NMI-8bb27a2b-3
0.656
ERI-UCB-fbdd3ea1-7
0.634
LON-WEI-b8d98729-43
0.626
ERI-UCB-fbdd3ea1-6
0.621
LON-WEI-b8d98729-15
0.620
NIM-NMI-8bb27a2b-21
0.619
NIM-NMI-8bb27a2b-11
0.617
NIM-NMI-8bb27a2b-4
0.617
ERI-UCB-fbdd3ea1-9
0.617
NIM-NMI-8bb27a2b-2
0.611
NIM-NMI-8bb27a2b-1
0.608
ERI-UCB-fbdd3ea1-5
0.608
NIM-NMI-8bb27a2b-13
0.606
NIM-NMI-8bb27a2b-8
0.604
NIM-NMI-8bb27a2b-9
0.604
NIM-NMI-8bb27a2b-14
0.598
NIM-NMI-8bb27a2b-5
0.598
NIM-NMI-8bb27a2b-12
0.598
ERI-UCB-fbdd3ea1-28
0.592
ERI-UCB-fbdd3ea1-8
0.590
NIM-NMI-8bb27a2b-10
0.586
LON-WEI-babf2c61-10
0.578
ERI-UCB-fbdd3ea1-10
0.558
DAR-DIA-2b784ede-35
0.538
JAN-GHE-d851b096-7
0.510
ERI-UCB-fbdd3ea1-26
0.500
DAR-DIA-2b784ede-34
0.495
ERI-UCB-fbdd3ea1-32
0.495
NIM-NMI-8bb27a2b-22
0.495
LON-WEI-d1c9908a-10
0.486
DAR-DIA-2b784ede-31
0.485
ERI-UCB-fbdd3ea1-33
0.485
ERI-UCB-fbdd3ea1-24
0.484
ERI-UCB-fbdd3ea1-30
0.476
DAR-DIA-2b784ede-45
0.473
LON-WEI-b8d98729-20
0.473
DAR-DIA-2b784ede-36
0.469
DAR-DIA-2b784ede-48
0.468
DAR-DIA-2b784ede-51
0.468
ERI-UCB-fbdd3ea1-31
0.467
ERI-UCB-fbdd3ea1-1
0.463
ERI-UCB-fbdd3ea1-2
0.463
LON-WEI-b8d98729-39
0.463
LON-WEI-babf2c61-11
0.451
LON-WEI-adc59df6-42
0.447
LON-WEI-adc59df6-9
0.444
LON-WEI-b8d98729-42
0.441
DAR-DIA-2b784ede-33
0.441
LON-WEI-b8d98729-2
0.440
DAR-DIA-2b784ede-42
0.440
LON-WEI-babf2c61-13
0.438
LON-WEI-b8d98729-29
0.436
LON-WEI-b8d98729-18
0.436
LON-WEI-babf2c61-12
0.434
LON-WEI-b8d98729-45
0.429
LON-WEI-d1c9908a-8
0.429
ERI-UCB-fbdd3ea1-29
0.427
LON-WEI-b8d98729-48
0.424
ERI-UCB-fbdd3ea1-25
0.422
JAN-GHE-d851b096-8
0.417
DAR-DIA-2b784ede-50
0.417
DAR-DIA-2b784ede-32
0.415
LON-WEI-adc59df6-16
0.414
LON-WEI-adc59df6-46
0.413
DAR-DIA-2b784ede-52
0.412
DAR-DIA-2b784ede-46
0.412
ALP-POS-95f71980-16
0.412
LON-WEI-babf2c61-14
0.412
ERI-UCB-fbdd3ea1-13
0.410
ERI-UCB-fbdd3ea1-15
0.410
ERI-UCB-fbdd3ea1-34
0.409
LON-WEI-adc59df6-44
0.408
LON-WEI-adc59df6-33
0.405
LON-WEI-adc59df6-15
0.405
LON-WEI-adc59df6-3
0.404
LON-WEI-adc59df6-43
0.404
LON-WEI-adc59df6-4
0.404
LON-WEI-b8d98729-21
0.402
DAR-DIA-2b784ede-49
0.398
LON-WEI-d1c9908a-3
0.398
BRU-LEF-e1854a6f-1
0.398
LON-WEI-adc59df6-5
0.396
ERI-UCB-fbdd3ea1-3
0.396
LON-WEI-8f408cad-8
0.396
JAN-GHE-d851b096-4
0.394
LON-WEI-b8d98729-11
0.393
LON-WEI-adc59df6-12
0.393
ERI-UCB-fbdd3ea1-27
0.393
LON-WEI-8f408cad-9
0.393
LON-WEI-adc59df6-74
0.393
JAN-GHE-d851b096-9
0.393
LON-WEI-adc59df6-21
0.392
LON-WEI-adc59df6-39
0.391
ERI-UCB-fbdd3ea1-11
0.390
LON-WEI-d1c9908a-9
0.389
ERI-UCB-fbdd3ea1-17
0.389
LON-WEI-adc59df6-103
0.389