Molecular Properties | |
SMILES: | C=CC(=O)N(c1cc(C(C)(C)C)on1)C(C(=O)NC1CCCCC1)c1cccnc1 |
MW: | 410.23 |
Fraction sp3: | 0.48 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 88.33 |
cLogP: | 4.08 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Long aliphatic chain
AAR-POS-d2a4d1df-1
NIM-NMI-8bb27a2b-1
1.000
ERI-UCB-fbdd3ea1-6
0.948
ERI-UCB-fbdd3ea1-7
0.922
NIM-NMI-8bb27a2b-3
0.883
JAN-GHE-d851b096-7
0.843
ERI-UCB-fbdd3ea1-8
0.782
LON-WEI-b8d98729-23
0.690
NIM-NMI-8bb27a2b-6
0.656
NIM-NMI-8bb27a2b-4
0.644
NIM-NMI-8bb27a2b-11
0.644
ERI-UCB-fbdd3ea1-9
0.644
NIM-NMI-8bb27a2b-2
0.637
LON-WEI-adc59df6-8
0.633
NIM-NMI-8bb27a2b-5
0.624
NIM-NMI-8bb27a2b-12
0.624
ERI-UCB-fbdd3ea1-10
0.612
NIM-NMI-8bb27a2b-10
0.611
NIM-NMI-8bb27a2b-7
0.608
LON-WEI-b8d98729-46
0.608
LON-WEI-b8d98729-43
0.602
ERI-UCB-fbdd3ea1-28
0.600
NIM-NMI-8bb27a2b-13
0.598
NIM-NMI-8bb27a2b-8
0.596
NIM-NMI-8bb27a2b-9
0.596
LON-WEI-b8d98729-15
0.596
LON-WEI-adc59df6-35
0.593
LON-WEI-babf2c61-10
0.586
NIM-NMI-8bb27a2b-15
0.574
NIM-NMI-8bb27a2b-14
0.574
LON-WEI-adc59df6-14
0.571
LON-WEI-adc59df6-44
0.549
ERI-UCB-fbdd3ea1-31
0.546
ERI-UCB-fbdd3ea1-30
0.542
RAL-MED-9a5eb9cb-15
0.537
ERI-UCB-fbdd3ea1-26
0.505
ERI-UCB-fbdd3ea1-24
0.505
ERI-UCB-fbdd3ea1-33
0.505
LON-WEI-adc59df6-39
0.505
ERI-UCB-fbdd3ea1-32
0.500
NIM-NMI-8bb27a2b-17
0.495
DAR-DIA-2b784ede-31
0.489
BRU-THA-40a53a3c-1
0.481
JAN-GHE-76def03c-3
0.476
ERI-UCB-fbdd3ea1-25
0.469
ALP-POS-88a7a97e-28
0.462
DAR-DIA-2b784ede-35
0.458
LON-WEI-adc59df6-1
0.456
JAN-GHE-76def03c-1
0.453
ERI-UCB-fbdd3ea1-29
0.444
ALP-POS-88a7a97e-45
0.442
LON-WEI-babf2c61-13
0.440
LON-WEI-babf2c61-12
0.436
LON-WEI-adc59df6-6
0.435
ALP-POS-88a7a97e-12
0.433
LON-WEI-babf2c61-11
0.429
ALP-POS-95f71980-16
0.426
LON-WEI-adc59df6-32
0.426
ERI-UCB-fbdd3ea1-15
0.426
ERI-UCB-fbdd3ea1-34
0.423
LON-WEI-adc59df6-21
0.423
LON-WEI-adc59df6-3
0.421
LON-WEI-adc59df6-81
0.418
DAR-DIA-2b784ede-32
0.417
DAR-DIA-2b784ede-33
0.416
LON-WEI-b8d98729-7
0.414
LON-WEI-adc59df6-70
0.414
LON-WEI-babf2c61-14
0.414
LON-WEI-8f408cad-8
0.412
ERI-UCB-fbdd3ea1-13
0.412
LON-WEI-adc59df6-95
0.408
ERI-UCB-fbdd3ea1-27
0.407
ERI-UCB-fbdd3ea1-11
0.406
LON-WEI-adc59df6-43
0.405
LON-WEI-adc59df6-4
0.405
LON-WEI-adc59df6-30
0.404
ERI-UCB-fbdd3ea1-12
0.404
LON-WEI-adc59df6-16
0.404
LON-WEI-adc59df6-73
0.402
LON-WEI-adc59df6-46
0.402
BRU-LEF-e1854a6f-1
0.400
LON-WEI-adc59df6-19
0.400
LON-WEI-adc59df6-5
0.398
LON-WEI-adc59df6-83
0.398
LON-WEI-adc59df6-101
0.398
DAR-DIA-2b784ede-36
0.397
LON-WEI-adc59df6-24
0.396
LON-WEI-adc59df6-25
0.396
LON-WEI-adc59df6-64
0.396
LON-WEI-adc59df6-85
0.396
DAR-DIA-2b784ede-34
0.395
LON-WEI-adc59df6-15
0.394
LON-WEI-adc59df6-22
0.394
LON-WEI-adc59df6-37
0.394
LON-WEI-8f408cad-9
0.394
LON-WEI-adc59df6-26
0.394
LON-WEI-adc59df6-42
0.394
ALP-POS-88a7a97e-9
0.393
JAN-GHE-d851b096-8
0.392
LON-WEI-d1c9908a-1
0.392
LON-WEI-b8d98729-32
0.392