Molecular Properties | |
SMILES: | C=CC(=O)N(c1cc(C(C)(C)C)on1)C(C(=O)NCc1ccccc1)c1cccnc1 |
MW: | 418.2 |
Fraction sp3: | 0.25 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 88.33 |
cLogP: | 3.94 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Long aliphatic chain
AAR-POS-d2a4d1df-11
NIM-NMI-8bb27a2b-13
0.814
NIM-NMI-8bb27a2b-14
0.758
NIM-NMI-8bb27a2b-4
0.733
NIM-NMI-8bb27a2b-11
0.713
ERI-UCB-fbdd3ea1-9
0.713
NIM-NMI-8bb27a2b-2
0.705
NIM-NMI-8bb27a2b-5
0.689
NIM-NMI-8bb27a2b-12
0.689
LON-WEI-b8d98729-23
0.682
LON-WEI-babf2c61-10
0.681
NIM-NMI-8bb27a2b-3
0.659
LON-WEI-b8d98729-15
0.656
NIM-NMI-8bb27a2b-6
0.648
ERI-UCB-fbdd3ea1-10
0.639
ERI-UCB-fbdd3ea1-7
0.637
LON-WEI-adc59df6-40
0.637
ERI-UCB-fbdd3ea1-6
0.624
ERI-UCB-fbdd3ea1-5
0.611
NIM-NMI-8bb27a2b-1
0.611
NIM-NMI-8bb27a2b-9
0.606
LON-WEI-b8d98729-46
0.602
ERI-UCB-fbdd3ea1-28
0.594
ERI-UCB-fbdd3ea1-8
0.592
NIM-NMI-8bb27a2b-7
0.586
LON-WEI-b8d98729-43
0.580
NIM-NMI-8bb27a2b-20
0.579
NIM-NMI-8bb27a2b-8
0.574
ERI-UCB-fbdd3ea1-34
0.574
ERI-UCB-fbdd3ea1-24
0.551
ALP-POS-02c6a514-57
0.546
ERI-UCB-fbdd3ea1-32
0.540
LON-WEI-adc59df6-36
0.520
ERI-UCB-fbdd3ea1-33
0.516
LON-WEI-adc59df6-28
0.515
LON-WEI-adc59df6-20
0.510
JAN-GHE-d851b096-7
0.510
LON-WEI-adc59df6-23
0.505
LON-WEI-babf2c61-13
0.505
LON-WEI-babf2c61-12
0.500
ERI-UCB-fbdd3ea1-26
0.500
ERI-UCB-fbdd3ea1-31
0.495
LON-WEI-babf2c61-11
0.491
ERI-UCB-fbdd3ea1-30
0.490
DAR-DIA-2b784ede-31
0.484
LON-WEI-babf2c61-14
0.473
ALP-POS-95f71980-16
0.473
ERI-UCB-fbdd3ea1-25
0.464
NIM-NMI-8bb27a2b-28
0.462
NIM-UNI-bb9030bf-1
0.462
ERI-UCB-fbdd3ea1-14
0.444
LON-WEI-adc59df6-30
0.443
DAR-DIA-2b784ede-35
0.440
NIM-NMI-8bb27a2b-27
0.440
ERI-UCB-fbdd3ea1-29
0.440
LON-POS-586a7c45-1
0.435
PAU-WEI-5b8d5051-1
0.435
LON-WEI-adc59df6-47
0.435
LON-WEI-adc59df6-21
0.433
LON-WEI-adc59df6-17
0.431
ALP-POS-780445ae-5
0.431
ERI-UCB-fbdd3ea1-27
0.430
LON-WEI-adc59df6-29
0.426
LON-WEI-adc59df6-26
0.417
LON-WEI-adc59df6-3
0.417
LON-WEI-adc59df6-38
0.415
LON-WEI-adc59df6-81
0.414
DAR-DIA-2b784ede-32
0.413
DAR-DIA-2b784ede-33
0.412
LON-WEI-adc59df6-31
0.412
LON-WEI-adc59df6-73
0.412
ALP-POS-02c6a514-56
0.411
LON-WEI-adc59df6-27
0.410
ALP-POS-88a7a97e-8
0.409
LON-WEI-adc59df6-32
0.409
LON-WEI-8f408cad-8
0.408
ERI-UCB-fbdd3ea1-15
0.408
LON-WEI-adc59df6-101
0.408
ERI-UCB-fbdd3ea1-13
0.408
LON-WEI-adc59df6-2
0.407
LON-WEI-adc59df6-44
0.406
LON-WEI-adc59df6-10
0.406
LON-WEI-babf2c61-9
0.405
LON-WEI-adc59df6-25
0.405
LON-WEI-adc59df6-13
0.405
NIM-NMI-8bb27a2b-24
0.404
LON-WEI-8f408cad-9
0.404
ALP-POS-88a7a97e-4
0.404
LON-WEI-adc59df6-34
0.404
ERI-UCB-fbdd3ea1-11
0.402
PET-UNK-48ab5cd7-4
0.400
ERI-UCB-fbdd3ea1-12
0.400
LON-WEI-adc59df6-7
0.400
LON-WEI-adc59df6-46
0.398
LON-WEI-adc59df6-19
0.396
ALP-POS-780445ae-4
0.396
ALP-POS-02c6a514-11
0.396
ERI-UCB-fbdd3ea1-16
0.396
RAL-MED-9a5eb9cb-9
0.394
LON-WEI-adc59df6-78
0.393
LON-WEI-b8d98729-16
0.391