Molecular Properties | |
SMILES: | C=CC(=O)N(c1cc(C(C)(C)C)on1)C(C(=O)NCCCC)c1cccnc1 |
MW: | 384.22 |
Fraction sp3: | 0.43 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 88.33 |
cLogP: | 3.54 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Aliphatic long chain
Long aliphatic chain
AAR-POS-d2a4d1df-11
NIM-NMI-8bb27a2b-4
0.790
ERI-UCB-fbdd3ea1-9
0.790
NIM-NMI-8bb27a2b-11
0.747
NIM-NMI-8bb27a2b-12
0.741
NIM-NMI-8bb27a2b-5
0.721
LON-WEI-b8d98729-23
0.716
LON-WEI-babf2c61-10
0.711
NIM-NMI-8bb27a2b-10
0.705
ERI-UCB-fbdd3ea1-10
0.703
NIM-NMI-8bb27a2b-3
0.690
NIM-NMI-8bb27a2b-13
0.689
NIM-NMI-8bb27a2b-14
0.677
ERI-UCB-fbdd3ea1-7
0.667
NIM-NMI-8bb27a2b-6
0.659
ERI-UCB-fbdd3ea1-6
0.652
LON-WEI-b8d98729-46
0.645
ERI-UCB-fbdd3ea1-5
0.637
NIM-NMI-8bb27a2b-1
0.637
LON-WEI-b8d98729-15
0.632
ERI-UCB-fbdd3ea1-8
0.617
NIM-NMI-8bb27a2b-7
0.611
LON-WEI-b8d98729-43
0.604
ERI-UCB-fbdd3ea1-28
0.602
NIM-NMI-8bb27a2b-9
0.598
NIM-NMI-8bb27a2b-8
0.598
NIM-NMI-8bb27a2b-16
0.571
ERI-UCB-fbdd3ea1-32
0.531
JAN-GHE-d851b096-7
0.531
LON-WEI-babf2c61-13
0.525
LON-WEI-babf2c61-11
0.524
ERI-UCB-fbdd3ea1-24
0.523
ERI-UCB-fbdd3ea1-26
0.523
ERI-UCB-fbdd3ea1-33
0.522
LON-WEI-babf2c61-12
0.520
ERI-UCB-fbdd3ea1-31
0.515
ERI-UCB-fbdd3ea1-30
0.510
DAR-DIA-2b784ede-31
0.505
ALP-POS-95f71980-16
0.505
LON-WEI-adc59df6-27
0.500
LON-WEI-adc59df6-7
0.500
LON-WEI-adc59df6-10
0.495
LON-WEI-babf2c61-14
0.491
LON-WEI-adc59df6-30
0.478
LON-WEI-adc59df6-29
0.474
DAR-DIA-2b784ede-35
0.471
LON-WEI-adc59df6-2
0.465
LON-WEI-adc59df6-17
0.464
LON-WEI-adc59df6-26
0.464
ERI-UCB-fbdd3ea1-34
0.462
ERI-UCB-fbdd3ea1-29
0.458
ERI-UCB-fbdd3ea1-25
0.453
LON-WEI-adc59df6-47
0.452
PAU-WEI-5b8d5051-1
0.452
LON-POS-586a7c45-1
0.452
ERI-UCB-fbdd3ea1-12
0.444
LON-WEI-adc59df6-31
0.443
LON-WEI-adc59df6-73
0.443
LON-WEI-adc59df6-21
0.436
LON-WEI-adc59df6-3
0.435
NIM-NMI-8bb27a2b-24
0.434
LON-WEI-adc59df6-25
0.434
LON-WEI-adc59df6-22
0.433
LON-WEI-adc59df6-28
0.430
DAR-DIA-2b784ede-32
0.430
DAR-DIA-2b784ede-33
0.429
ERI-UCB-fbdd3ea1-16
0.426
LON-WEI-8f408cad-8
0.426
LON-WEI-adc59df6-32
0.425
ERI-UCB-fbdd3ea1-13
0.424
ERI-UCB-fbdd3ea1-15
0.424
LON-WEI-adc59df6-44
0.423
LON-WEI-adc59df6-36
0.422
LON-WEI-adc59df6-40
0.422
LON-WEI-babf2c61-9
0.421
ERI-UCB-fbdd3ea1-27
0.419
ERI-UCB-fbdd3ea1-11
0.418
NIM-NMI-8bb27a2b-18
0.417
LON-WEI-adc59df6-81
0.417
ALP-POS-88a7a97e-35
0.416
LON-WEI-adc59df6-20
0.413
LON-WEI-adc59df6-46
0.413
LON-WEI-adc59df6-19
0.411
LON-WEI-adc59df6-101
0.410
LON-WEI-adc59df6-23
0.410
DAR-DIA-2b784ede-36
0.407
NIM-NMI-8bb27a2b-19
0.406
LON-WEI-8f408cad-9
0.406
ALP-POS-88a7a97e-3
0.406
LON-WEI-d1c9908a-10
0.406
ALP-POS-88a7a97e-46
0.406
ALP-POS-305f6ec3-44
0.405
DAR-DIA-2b784ede-34
0.405
LON-WEI-d1c9908a-1
0.404
JAN-GHE-d851b096-8
0.404
NIM-NMI-8bb27a2b-23
0.404
ALP-POS-95f71980-21
0.404
LON-WEI-adc59df6-80
0.402
LON-WEI-adc59df6-103
0.402
ERI-UCB-fbdd3ea1-17
0.402
LON-WEI-adc59df6-16
0.402