Molecular Properties | |
SMILES: | C=CC(=O)N(c1cc(C(C)(C)C)n[nH]1)C(C(=O)Nc1c(C)cccc1C(C)C)c1cccnc1 |
MW: | 459.26 |
Fraction sp3: | 0.33 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 90.98 |
cLogP: | 5.43 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
DAR-DIA-2b784ede-49
0.768
LON-WEI-b8d98729-20
0.755
DAR-DIA-2b784ede-48
0.747
DAR-DIA-2b784ede-52
0.673
DAR-DIA-2b784ede-50
0.660
LON-WEI-b8d98729-21
0.649
DAR-DIA-2b784ede-45
0.647
DAR-DIA-2b784ede-42
0.635
DAR-DIA-2b784ede-43
0.561
DAR-DIA-2b784ede-47
0.551
NIM-NMI-8bb27a2b-6
0.500
LON-WEI-d1c9908a-10
0.500
NIM-NMI-8bb27a2b-22
0.481
NIM-NMI-8bb27a2b-7
0.468
LON-WEI-b8d98729-46
0.468
NIM-NMI-8bb27a2b-21
0.455
ERI-UCB-fbdd3ea1-1
0.450
LON-WEI-b8d98729-39
0.450
ERI-UCB-fbdd3ea1-2
0.450
LON-WEI-b8d98729-18
0.450
LON-WEI-b8d98729-42
0.442
LON-WEI-b8d98729-45
0.442
LON-WEI-b8d98729-2
0.441
LON-WEI-adc59df6-41
0.439
LON-WEI-b8d98729-29
0.438
ERI-UCB-fbdd3ea1-11
0.433
ERI-UCB-fbdd3ea1-17
0.430
LON-WEI-d1c9908a-8
0.430
LON-WEI-adc59df6-16
0.429
LON-WEI-adc59df6-46
0.427
LON-WEI-8f408cad-8
0.426
LON-WEI-d1c9908a-3
0.425
ERI-UCB-fbdd3ea1-13
0.425
LON-WEI-adc59df6-21
0.422
LON-WEI-adc59df6-3
0.420
LON-WEI-adc59df6-12
0.420
ERI-UCB-fbdd3ea1-12
0.417
LON-WEI-b8d98729-48
0.413
ERI-UCB-fbdd3ea1-15
0.411
LON-WEI-adc59df6-5
0.411
LON-WEI-adc59df6-44
0.410
LON-WEI-8f408cad-9
0.407
LON-WEI-adc59df6-42
0.407
LON-WEI-adc59df6-9
0.407
LON-WEI-adc59df6-15
0.407
LON-WEI-b8d98729-32
0.406
LON-WEI-b8d98729-23
0.406
LON-WEI-adc59df6-39
0.405
LON-WEI-adc59df6-45
0.405
LON-WEI-adc59df6-30
0.404
LON-WEI-adc59df6-80
0.404
LON-WEI-d1c9908a-9
0.404
LON-WEI-adc59df6-14
0.402
LON-WEI-adc59df6-31
0.402
LON-WEI-adc59df6-18
0.402
DAR-DIA-2b784ede-46
0.402
LON-WEI-adc59df6-8
0.400
ERI-UCB-fbdd3ea1-3
0.398
LON-WEI-adc59df6-23
0.398
LON-WEI-adc59df6-24
0.397
LON-WEI-d1c9908a-7
0.396
NIM-NMI-8bb27a2b-4
0.396
LON-WEI-adc59df6-22
0.395
LON-WEI-adc59df6-33
0.395
LON-WEI-adc59df6-74
0.394
NIM-NMI-8bb27a2b-3
0.394
LON-WEI-adc59df6-35
0.394
LON-WEI-adc59df6-4
0.393
LON-WEI-adc59df6-43
0.393
JAN-GHE-d851b096-8
0.393
DAR-DIA-2b784ede-53
0.391
LON-WEI-adc59df6-103
0.391
LON-WEI-adc59df6-81
0.390
LON-WEI-b8d98729-26
0.390
LON-WEI-b8d98729-43
0.390
LON-WEI-b8d98729-10
0.389
LON-WEI-adc59df6-29
0.389
LON-WEI-adc59df6-73
0.389
PAU-WEI-5b8d5051-1
0.388
LON-POS-586a7c45-1
0.388
LON-WEI-adc59df6-47
0.388
LON-WEI-b8d98729-7
0.387
LON-WEI-b8d98729-6
0.387
RAL-MED-9a5eb9cb-12
0.387
ERI-UCB-fbdd3ea1-4
0.387
LON-WEI-adc59df6-70
0.387
LON-WEI-adc59df6-101
0.385
ERI-UCB-fbdd3ea1-14
0.385
ERI-UCB-fbdd3ea1-7
0.384
LON-WEI-b8d98729-11
0.383
LON-WEI-adc59df6-34
0.383
LON-WEI-adc59df6-37
0.383
ERI-UCB-fbdd3ea1-5
0.383
NIM-NMI-8bb27a2b-1
0.383
LON-WEI-adc59df6-26
0.382
LON-WEI-adc59df6-17
0.382
LON-WEI-adc59df6-79
0.382
LON-WEI-adc59df6-95
0.382
LON-WEI-b8d98729-8
0.381
LON-WEI-b8d98729-37
0.381