Molecular Properties | |
SMILES: | C=CC(=O)N(c1cc(C(C)(C)C)on1)C(C(=O)Nc1ccnc(NC(C)(C)C)c1)c1cccnc1 |
MW: | 476.25 |
Fraction sp3: | 0.35 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 113.25 |
cLogP: | 4.87 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-1
LON-WEI-b8d98729-15
0.677
NIM-NMI-8bb27a2b-9
0.660
LON-WEI-b8d98729-23
0.648
NIM-NMI-8bb27a2b-6
0.635
NIM-NMI-8bb27a2b-3
0.628
NIM-NMI-8bb27a2b-8
0.627
NIM-NMI-8bb27a2b-11
0.625
ERI-UCB-fbdd3ea1-7
0.625
ERI-UCB-fbdd3ea1-6
0.612
NIM-NMI-8bb27a2b-4
0.608
ERI-UCB-fbdd3ea1-9
0.608
NIM-NMI-8bb27a2b-12
0.606
NIM-NMI-8bb27a2b-5
0.606
NIM-NMI-8bb27a2b-2
0.602
ERI-UCB-fbdd3ea1-5
0.600
NIM-NMI-8bb27a2b-1
0.600
NIM-NMI-8bb27a2b-10
0.594
LON-WEI-b8d98729-46
0.592
NIM-NMI-8bb27a2b-7
0.592
LON-WEI-b8d98729-43
0.587
ERI-UCB-fbdd3ea1-8
0.583
LON-WEI-babf2c61-10
0.571
NIM-NMI-8bb27a2b-13
0.567
NIM-NMI-8bb27a2b-14
0.561
ERI-UCB-fbdd3ea1-10
0.551
ERI-UCB-fbdd3ea1-26
0.526
DAR-DIA-2b784ede-31
0.510
JAN-GHE-d851b096-7
0.505
LON-WEI-adc59df6-46
0.491
LON-WEI-adc59df6-5
0.486
LON-WEI-adc59df6-15
0.481
ERI-UCB-fbdd3ea1-33
0.480
ERI-UCB-fbdd3ea1-24
0.480
ERI-UCB-fbdd3ea1-32
0.477
ERI-UCB-fbdd3ea1-30
0.472
LON-WEI-adc59df6-12
0.468
DAR-DIA-2b784ede-35
0.464
LON-WEI-adc59df6-4
0.464
LON-WEI-adc59df6-43
0.464
ERI-UCB-fbdd3ea1-31
0.463
LON-WEI-adc59df6-24
0.455
LON-WEI-adc59df6-41
0.449
LON-WEI-adc59df6-11
0.443
DAR-DIA-2b784ede-32
0.439
ERI-UCB-fbdd3ea1-29
0.438
DAR-DIA-2b784ede-33
0.438
LON-WEI-adc59df6-38
0.438
BRU-LEF-e1854a6f-1
0.435
ERI-UCB-fbdd3ea1-25
0.433
JAN-GHE-d851b096-4
0.431
LON-WEI-d1c9908a-7
0.431
ERI-UCB-fbdd3ea1-34
0.431
LON-WEI-adc59df6-3
0.430
LON-WEI-adc59df6-37
0.429
LON-WEI-babf2c61-13
0.422
LON-WEI-8f408cad-8
0.422
LON-WEI-adc59df6-44
0.419
LON-WEI-babf2c61-12
0.419
LON-WEI-adc59df6-21
0.417
JAN-GHE-d851b096-9
0.417
LON-WEI-adc59df6-30
0.413
LON-WEI-adc59df6-16
0.412
LON-WEI-b8d98729-21
0.412
LON-WEI-babf2c61-11
0.412
LON-WEI-adc59df6-14
0.411
ALP-POS-95f71980-16
0.410
ERI-UCB-fbdd3ea1-13
0.407
LON-WEI-b8d98729-35
0.407
NIM-NMI-8bb27a2b-26
0.405
DAR-DIA-2b784ede-36
0.405
LON-WEI-adc59df6-13
0.405
LON-WEI-adc59df6-35
0.404
LON-WEI-adc59df6-42
0.404
LON-WEI-b8d98729-33
0.404
ERI-UCB-fbdd3ea1-27
0.404
DAR-DIA-2b784ede-34
0.403
LON-WEI-adc59df6-81
0.400
LON-WEI-babf2c61-14
0.398
LON-WEI-d1c9908a-6
0.398
RIT-AID-af4ac3d4-1
0.398
LON-WEI-adc59df6-31
0.398
LON-WEI-d1c9908a-3
0.397
BRU-LEF-8bac3ce8-1
0.396
LON-WEI-adc59df6-8
0.396
LON-WEI-b8d98729-17
0.395
ERI-UCB-fbdd3ea1-15
0.394
RAL-MED-9a5eb9cb-9
0.394
LON-WEI-b8d98729-16
0.392
LON-WEI-adc59df6-9
0.391
LON-WEI-adc59df6-33
0.391
LON-WEI-adc59df6-34
0.391
LON-WEI-d1c9908a-10
0.391
LON-WEI-adc59df6-17
0.391
LON-WEI-adc59df6-95
0.391
LON-WEI-adc59df6-39
0.389
LON-WEI-b8d98729-32
0.389
ERI-UCB-fbdd3ea1-11
0.389
LON-WEI-d1c9908a-9
0.388
BRU-LEF-973da26b-1
0.387
RAL-MED-9a5eb9cb-14
0.387