Molecular Properties | |
SMILES: | C=CC(=O)N(c1cc(C(C)(C)C)on1)C(C(=O)Nc1ccc2ccccc2c1)c1cccnc1 |
MW: | 454.2 |
Fraction sp3: | 0.19 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 88.33 |
cLogP: | 5.42 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
β-Aminonaphtalenes
AAR-POS-d2a4d1df-11
NIM-NMI-8bb27a2b-8
0.691
LON-WEI-b8d98729-15
0.673
ERI-UCB-fbdd3ea1-28
0.660
NIM-NMI-8bb27a2b-6
0.649
LON-WEI-b8d98729-23
0.644
NIM-NMI-8bb27a2b-3
0.641
NIM-NMI-8bb27a2b-26
0.626
ERI-UCB-fbdd3ea1-7
0.621
LON-WEI-b8d98729-43
0.614
ERI-UCB-fbdd3ea1-6
0.608
NIM-NMI-8bb27a2b-10
0.606
NIM-NMI-8bb27a2b-4
0.604
NIM-NMI-8bb27a2b-11
0.604
ERI-UCB-fbdd3ea1-9
0.604
LON-WEI-b8d98729-46
0.604
NIM-NMI-8bb27a2b-7
0.604
NIM-NMI-8bb27a2b-2
0.598
NIM-NMI-8bb27a2b-1
0.596
ERI-UCB-fbdd3ea1-5
0.596
NIM-NMI-8bb27a2b-5
0.586
NIM-NMI-8bb27a2b-12
0.586
NIM-NMI-8bb27a2b-13
0.578
ERI-UCB-fbdd3ea1-8
0.578
LON-WEI-babf2c61-10
0.567
ERI-UCB-fbdd3ea1-10
0.547
NIM-NMI-8bb27a2b-14
0.542
DAR-DIA-2b784ede-31
0.521
JAN-GHE-d851b096-7
0.514
ERI-UCB-fbdd3ea1-26
0.505
ERI-UCB-fbdd3ea1-24
0.490
ERI-UCB-fbdd3ea1-32
0.486
BRU-LEF-e1854a6f-1
0.485
ERI-UCB-fbdd3ea1-30
0.481
ERI-UCB-fbdd3ea1-33
0.475
LON-WEI-adc59df6-46
0.472
LON-WEI-adc59df6-15
0.463
LON-WEI-adc59df6-12
0.463
LON-WEI-adc59df6-4
0.459
DAR-DIA-2b784ede-35
0.459
LON-WEI-adc59df6-43
0.459
ERI-UCB-fbdd3ea1-31
0.458
LON-WEI-d1c9908a-7
0.453
DAR-DIA-2b784ede-32
0.448
DAR-DIA-2b784ede-33
0.447
LON-WEI-adc59df6-5
0.440
ERI-UCB-fbdd3ea1-27
0.436
LON-WEI-b8d98729-27
0.431
RIT-AID-af4ac3d4-1
0.431
LON-WEI-adc59df6-41
0.430
LON-WEI-babf2c61-13
0.430
ERI-UCB-fbdd3ea1-25
0.427
LON-WEI-adc59df6-11
0.426
ERI-UCB-fbdd3ea1-34
0.426
LON-WEI-babf2c61-12
0.426
JAN-GHE-d851b096-4
0.426
LON-WEI-adc59df6-24
0.425
RAL-MED-9a5eb9cb-6
0.424
LON-WEI-adc59df6-3
0.424
RAL-MED-9a5eb9cb-14
0.422
LON-WEI-adc59df6-38
0.421
BRU-LEF-973da26b-1
0.421
LON-WEI-b8d98729-21
0.420
ERI-UCB-fbdd3ea1-29
0.419
LON-WEI-babf2c61-11
0.419
LON-WEI-8f408cad-10
0.416
RAL-MED-9a5eb9cb-9
0.415
JAN-GHE-d851b096-9
0.411
LON-WEI-adc59df6-37
0.411
LON-WEI-b8d98729-47
0.409
LON-WEI-b8d98729-12
0.405
ALP-POS-95f71980-16
0.405
LON-WEI-babf2c61-14
0.405
RAL-MED-9a5eb9cb-10
0.402
ERI-UCB-fbdd3ea1-15
0.402
ERI-UCB-fbdd3ea1-13
0.402
LON-WEI-b8d98729-35
0.402
LON-WEI-adc59df6-13
0.400
LON-WEI-adc59df6-44
0.400
DAR-DIA-2b784ede-36
0.400
DAR-DIA-2b784ede-34
0.398
LON-WEI-b8d98729-11
0.398
LON-WEI-b8d98729-33
0.398
LON-WEI-b8d98729-14
0.398
NIM-NMI-8bb27a2b-25
0.398
LON-WEI-d1c9908a-5
0.398
LON-WEI-adc59df6-42
0.398
LON-WEI-adc59df6-21
0.398
LON-WEI-b8d98729-25
0.395
LON-WEI-adc59df6-16
0.395
ERI-UCB-fbdd3ea1-17
0.394
LON-WEI-d1c9908a-3
0.391
LON-WEI-8f408cad-8
0.388
LON-WEI-b8d98729-24
0.387
LON-WEI-b8d98729-16
0.387
LON-WEI-adc59df6-34
0.386
LON-WEI-adc59df6-68
0.384
LON-WEI-b8d98729-32
0.383
ERI-UCB-fbdd3ea1-11
0.383
LON-WEI-d1c9908a-6
0.381
LON-WEI-adc59df6-30
0.381