Molecular Properties | |
SMILES: | C=CC(=O)N(c1cc(C(C)(C)C)on1)C(C(=O)NCc1ccc(Cl)cc1)c1cccnc1 |
MW: | 452.16 |
Fraction sp3: | 0.25 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 88.33 |
cLogP: | 4.6 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Long aliphatic chain
AAR-POS-d2a4d1df-11
NIM-NMI-8bb27a2b-10
0.814
NIM-NMI-8bb27a2b-14
0.780
ERI-UCB-fbdd3ea1-9
0.716
NIM-NMI-8bb27a2b-4
0.716
NIM-NMI-8bb27a2b-11
0.697
NIM-NMI-8bb27a2b-2
0.689
NIM-NMI-8bb27a2b-5
0.674
NIM-NMI-8bb27a2b-12
0.674
LON-WEI-b8d98729-23
0.667
LON-WEI-babf2c61-10
0.649
LON-WEI-adc59df6-20
0.645
NIM-NMI-8bb27a2b-3
0.644
ERI-UCB-fbdd3ea1-10
0.626
ERI-UCB-fbdd3ea1-7
0.624
NIM-NMI-8bb27a2b-6
0.617
ERI-UCB-fbdd3ea1-6
0.611
LON-WEI-b8d98729-15
0.610
NIM-NMI-8bb27a2b-7
0.606
ERI-UCB-fbdd3ea1-5
0.598
NIM-NMI-8bb27a2b-1
0.598
LON-WEI-b8d98729-46
0.590
NIM-NMI-8bb27a2b-28
0.588
ERI-UCB-fbdd3ea1-8
0.580
NIM-NMI-8bb27a2b-9
0.578
LON-WEI-b8d98729-43
0.569
ERI-UCB-fbdd3ea1-28
0.567
NIM-NMI-8bb27a2b-8
0.563
LON-WEI-adc59df6-23
0.525
LON-WEI-adc59df6-36
0.510
LON-WEI-adc59df6-40
0.510
LON-WEI-babf2c61-11
0.509
JAN-GHE-d851b096-7
0.500
LON-WEI-adc59df6-28
0.490
ERI-UCB-fbdd3ea1-33
0.490
ERI-UCB-fbdd3ea1-26
0.489
ERI-UCB-fbdd3ea1-24
0.489
ERI-UCB-fbdd3ea1-32
0.486
ERI-UCB-fbdd3ea1-31
0.485
LON-WEI-babf2c61-13
0.481
ERI-UCB-fbdd3ea1-30
0.480
LON-WEI-babf2c61-12
0.477
ERI-UCB-fbdd3ea1-34
0.477
DAR-DIA-2b784ede-31
0.474
NIM-NMI-8bb27a2b-20
0.462
NIM-NMI-8bb27a2b-27
0.459
LON-WEI-babf2c61-14
0.452
ALP-POS-95f71980-16
0.452
ERI-UCB-fbdd3ea1-25
0.440
LON-WEI-adc59df6-30
0.434
ALP-POS-02c6a514-57
0.434
DAR-DIA-2b784ede-35
0.432
ERI-UCB-fbdd3ea1-29
0.431
LON-WEI-adc59df6-29
0.431
LON-WEI-b8d98729-21
0.431
LON-WEI-adc59df6-21
0.424
LON-WEI-b8d98729-11
0.422
LON-WEI-b8d98729-33
0.422
JAN-GHE-d851b096-8
0.422
DAR-DIA-2b784ede-33
0.417
LON-POS-586a7c45-1
0.414
PAU-WEI-5b8d5051-1
0.414
LON-WEI-adc59df6-47
0.414
ERI-UCB-fbdd3ea1-15
0.413
LON-WEI-8f408cad-9
0.410
LON-WEI-adc59df6-17
0.410
LON-WEI-adc59df6-26
0.410
LON-WEI-adc59df6-33
0.409
ERI-UCB-fbdd3ea1-27
0.409
LON-WEI-adc59df6-3
0.408
LON-WEI-adc59df6-81
0.406
DAR-DIA-2b784ede-32
0.406
LON-WEI-adc59df6-31
0.404
LON-WEI-adc59df6-73
0.404
ERI-UCB-fbdd3ea1-16
0.402
LON-WEI-adc59df6-27
0.402
LON-WEI-adc59df6-32
0.402
ALP-POS-88a7a97e-8
0.402
LON-WEI-adc59df6-101
0.400
LON-WEI-8f408cad-8
0.400
ERI-UCB-fbdd3ea1-13
0.400
LON-WEI-adc59df6-2
0.400
LON-WEI-adc59df6-25
0.398
LON-WEI-b8d98729-24
0.398
LON-WEI-adc59df6-10
0.398
LON-WEI-adc59df6-78
0.398
LON-WEI-adc59df6-44
0.398
NIM-NMI-8bb27a2b-24
0.396
LON-WEI-adc59df6-42
0.396
ERI-UCB-fbdd3ea1-11
0.394
LON-WEI-adc59df6-7
0.393
ERI-UCB-fbdd3ea1-12
0.393
ERI-UCB-fbdd3ea1-17
0.393
LON-WEI-adc59df6-46
0.391
DAR-DIA-2b784ede-45
0.390
LON-WEI-adc59df6-19
0.389
LON-WEI-b8d98729-22
0.387
LON-WEI-d1c9908a-2
0.387
ERI-UCB-fbdd3ea1-14
0.386
LON-WEI-babf2c61-9
0.386
JAN-GHE-d851b096-4
0.385