Molecular Properties | |
SMILES: | C=CC(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)NC(C)(C)C)c1cnccc1O |
MW: | 409.53 |
Fraction sp3: | 0.38 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 82.53 |
cLogP: | 4.2597 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Long aliphatic chain
AAR-POS-d2a4d1df-1
LON-WEI-adc59df6-61
0.736
LON-WEI-adc59df6-51
0.716
LON-WEI-adc59df6-55
0.620
LON-WEI-adc59df6-59
0.605
LON-WEI-adc59df6-56
0.595
LON-WEI-8f408cad-8
0.590
LON-WEI-adc59df6-48
0.590
RIT-AID-a497c99f-1
0.579
LON-WEI-adc59df6-52
0.576
LON-WEI-adc59df6-49
0.564
LON-WEI-adc59df6-60
0.549
LON-WEI-adc59df6-54
0.537
LON-WEI-adc59df6-53
0.537
LON-WEI-adc59df6-58
0.524
LON-WEI-adc59df6-57
0.523
RAL-MED-9a5eb9cb-12
0.512
ERI-UCB-fbdd3ea1-4
0.512
DAR-DIA-2b784ede-37
0.505
DAR-DIA-2b784ede-38
0.505
DAR-DIA-2b784ede-40
0.505
DAR-DIA-2b784ede-41
0.495
LON-WEI-adc59df6-3
0.488
DAR-DIA-2b784ede-39
0.484
LON-WEI-adc59df6-82
0.477
LON-WEI-adc59df6-91
0.472
LON-WEI-adc59df6-21
0.471
LON-WEI-adc59df6-30
0.465
LON-WEI-adc59df6-44
0.455
LON-WEI-adc59df6-26
0.451
LON-WEI-adc59df6-80
0.448
LON-WEI-adc59df6-14
0.444
LON-WEI-adc59df6-29
0.444
LON-WEI-adc59df6-31
0.444
LON-WEI-b8d98729-6
0.443
LON-WEI-b8d98729-7
0.443
LON-WEI-adc59df6-27
0.441
LON-WEI-adc59df6-36
0.436
LON-WEI-adc59df6-35
0.435
LON-WEI-adc59df6-17
0.435
LON-WEI-adc59df6-42
0.435
LON-WEI-d1c9908a-1
0.433
LON-WEI-adc59df6-28
0.430
LON-WEI-b8d98729-10
0.429
LON-WEI-adc59df6-46
0.427
LON-WEI-adc59df6-1
0.427
LON-WEI-adc59df6-41
0.426
LON-WEI-adc59df6-8
0.426
LON-WEI-adc59df6-5
0.423
LON-WEI-adc59df6-78
0.421
LON-WEI-adc59df6-10
0.421
LON-WEI-adc59df6-40
0.421
LON-WEI-d1c9908a-7
0.421
DAR-DIA-2b784ede-4
0.420
LON-WEI-adc59df6-95
0.419
LON-WEI-adc59df6-12
0.418
LON-WEI-d1c9908a-10
0.418
LON-WEI-adc59df6-15
0.418
LON-WEI-b8d98729-32
0.418
DAR-DIA-2b784ede-3
0.418
LON-WEI-adc59df6-39
0.417
LON-WEI-adc59df6-20
0.412
LON-WEI-adc59df6-18
0.412
RAL-MED-9a5eb9cb-10
0.409
LON-WEI-adc59df6-2
0.408
LON-WEI-adc59df6-23
0.408
LON-WEI-adc59df6-24
0.406
LON-WEI-adc59df6-22
0.404
LON-WEI-adc59df6-34
0.404
LON-WEI-adc59df6-33
0.404
LON-WEI-adc59df6-37
0.404
LON-WEI-adc59df6-9
0.404
LON-WEI-adc59df6-87
0.402
LON-WEI-adc59df6-4
0.402
LON-WEI-adc59df6-43
0.402
LON-WEI-adc59df6-7
0.400
LON-WEI-adc59df6-16
0.400
LON-WEI-d1c9908a-9
0.400
DAR-DIA-2b784ede-21
0.400
ALP-POS-c59291d4-6
0.398
LON-WEI-adc59df6-73
0.398
LON-POS-586a7c45-1
0.396
LON-WEI-adc59df6-32
0.396
LON-WEI-adc59df6-47
0.396
LON-WEI-d1c9908a-3
0.396
LON-WEI-adc59df6-19
0.396
PAU-WEI-5b8d5051-1
0.396
LON-WEI-adc59df6-70
0.396
LON-WEI-adc59df6-11
0.394
LON-WEI-adc59df6-83
0.394
ERI-UCB-fbdd3ea1-15
0.394
LON-WEI-adc59df6-6
0.392
LON-WEI-adc59df6-25
0.392
LON-WEI-adc59df6-88
0.392
DAR-DIA-2b784ede-30
0.391
LON-WEI-8f408cad-9
0.389
LON-WEI-adc59df6-79
0.389
LON-WEI-adc59df6-45
0.388
JAN-GHE-d851b096-8
0.387
LON-WEI-adc59df6-100
0.384
RAL-MED-9a5eb9cb-11
0.384