Molecular Properties | |
SMILES: | C=CC(=O)N(c1cc(C(C)(C)C)on1)C(C(=O)NCC(=O)OC)c1cccnc1 |
MW: | 400.17 |
Fraction sp3: | 0.35 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 114.63 |
cLogP: | 1.92 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Ester
Long aliphatic chain
AAR-POS-d2a4d1df-11
NIM-NMI-8bb27a2b-5
0.838
NIM-NMI-8bb27a2b-12
0.838
NIM-NMI-8bb27a2b-4
0.756
ERI-UCB-fbdd3ea1-9
0.756
NIM-NMI-8bb27a2b-2
0.747
LON-WEI-b8d98729-23
0.725
NIM-NMI-8bb27a2b-10
0.713
NIM-NMI-8bb27a2b-3
0.699
NIM-NMI-8bb27a2b-13
0.697
LON-WEI-babf2c61-10
0.681
ERI-UCB-fbdd3ea1-7
0.674
ERI-UCB-fbdd3ea1-10
0.674
NIM-NMI-8bb27a2b-6
0.667
NIM-NMI-8bb27a2b-14
0.667
ERI-UCB-fbdd3ea1-6
0.659
LON-WEI-b8d98729-43
0.645
ERI-UCB-fbdd3ea1-5
0.644
NIM-NMI-8bb27a2b-1
0.644
LON-WEI-b8d98729-46
0.634
ERI-UCB-fbdd3ea1-28
0.625
ERI-UCB-fbdd3ea1-8
0.624
NIM-NMI-8bb27a2b-8
0.621
LON-WEI-b8d98729-15
0.621
NIM-NMI-8bb27a2b-7
0.617
NIM-NMI-8bb27a2b-9
0.604
NIM-NMI-8bb27a2b-19
0.567
JAN-GHE-d851b096-7
0.536
ERI-UCB-fbdd3ea1-24
0.529
ERI-UCB-fbdd3ea1-26
0.529
ERI-UCB-fbdd3ea1-33
0.528
ERI-UCB-fbdd3ea1-31
0.521
ERI-UCB-fbdd3ea1-32
0.520
ERI-UCB-fbdd3ea1-30
0.516
DAR-DIA-2b784ede-31
0.511
LON-WEI-babf2c61-13
0.500
LON-WEI-babf2c61-12
0.495
LON-WEI-babf2c61-11
0.486
NIM-NMI-8bb27a2b-23
0.480
NIM-NMI-8bb27a2b-18
0.480
ALP-POS-88a7a97e-33
0.480
ERI-UCB-fbdd3ea1-29
0.479
LON-WEI-adc59df6-26
0.469
ALP-POS-95f71980-16
0.468
LON-WEI-babf2c61-14
0.468
LON-WEI-adc59df6-30
0.467
ERI-UCB-fbdd3ea1-34
0.467
DAR-DIA-2b784ede-35
0.462
LON-WEI-adc59df6-27
0.459
ERI-UCB-fbdd3ea1-25
0.457
LON-WEI-adc59df6-2
0.455
LON-WEI-adc59df6-29
0.448
LON-WEI-adc59df6-7
0.447
LON-WEI-adc59df6-32
0.442
LON-WEI-adc59df6-21
0.441
LON-WEI-adc59df6-36
0.440
LON-WEI-adc59df6-3
0.440
LON-WEI-adc59df6-17
0.439
DAR-DIA-2b784ede-32
0.434
LON-WEI-adc59df6-28
0.434
DAR-DIA-2b784ede-33
0.433
LON-WEI-adc59df6-31
0.433
LON-WEI-adc59df6-73
0.433
LON-WEI-8f408cad-8
0.430
PAU-WEI-5b8d5051-1
0.429
LON-POS-586a7c45-1
0.429
LON-WEI-adc59df6-47
0.429
ERI-UCB-fbdd3ea1-13
0.429
ERI-UCB-fbdd3ea1-15
0.429
LON-WEI-adc59df6-44
0.427
LON-WEI-adc59df6-40
0.426
LON-WEI-adc59df6-10
0.426
ERI-UCB-fbdd3ea1-27
0.423
ERI-UCB-fbdd3ea1-11
0.423
LON-WEI-adc59df6-81
0.421
ERI-UCB-fbdd3ea1-12
0.420
LON-WEI-b8d98729-10
0.418
LON-WEI-adc59df6-1
0.417
LON-WEI-adc59df6-20
0.417
LON-WEI-adc59df6-65
0.417
LON-WEI-adc59df6-70
0.417
LON-WEI-adc59df6-84
0.416
BRU-LEF-e1854a6f-1
0.416
ERI-UCB-fbdd3ea1-16
0.416
LON-WEI-adc59df6-19
0.415
LON-WEI-d1c9908a-3
0.415
LON-WEI-adc59df6-101
0.414
LON-WEI-adc59df6-23
0.413
LON-WEI-d1c9908a-7
0.412
LON-WEI-adc59df6-25
0.411
NIM-NMI-8bb27a2b-24
0.410
LON-WEI-8f408cad-9
0.410
ALP-POS-88a7a97e-32
0.410
LON-WEI-adc59df6-12
0.410
LON-WEI-adc59df6-22
0.410
JAN-GHE-d851b096-8
0.408
LON-WEI-adc59df6-87
0.408
LON-WEI-adc59df6-80
0.406
NIM-NMI-8bb27a2b-16
0.406
ERI-UCB-fbdd3ea1-17
0.406
LON-WEI-adc59df6-16
0.406