Molecular Properties | |
SMILES: | C=CC(=O)N(c1cc(C(C)(C)C)on1)[C@@H](C(=O)NC)c1cnccc1C |
MW: | 356.18 |
Fraction sp3: | 0.37 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 88.33 |
cLogP: | 2.68 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Long aliphatic chain
DAR-DIA-2b784ede-33
0.845
DAR-DIA-2b784ede-32
0.836
DAR-DIA-2b784ede-35
0.674
DAR-DIA-2b784ede-34
0.581
DAR-DIA-2b784ede-36
0.579
DAR-DIA-2b784ede-5
0.573
ERI-UCB-fbdd3ea1-26
0.562
DAR-DIA-2b784ede-30
0.554
LON-WEI-b8d98729-23
0.548
DAR-DIA-2b784ede-1
0.547
DAR-DIA-2b784ede-6
0.530
NIM-NMI-8bb27a2b-3
0.529
DAR-DIA-2b784ede-20
0.528
DAR-DIA-2b784ede-24
0.527
NIM-NMI-8bb27a2b-6
0.522
NIM-NMI-8bb27a2b-9
0.521
DAR-DIA-2b784ede-4
0.518
DAR-DIA-2b784ede-28
0.517
ERI-UCB-fbdd3ea1-7
0.511
ERI-UCB-fbdd3ea1-9
0.511
NIM-NMI-8bb27a2b-4
0.511
NIM-NMI-8bb27a2b-11
0.511
ERI-UCB-fbdd3ea1-28
0.510
ERI-UCB-fbdd3ea1-24
0.506
NIM-NMI-8bb27a2b-2
0.505
ERI-UCB-fbdd3ea1-27
0.505
LON-WEI-b8d98729-15
0.505
ERI-UCB-fbdd3ea1-6
0.500
NIM-NMI-8bb27a2b-12
0.495
NIM-NMI-8bb27a2b-5
0.495
DAR-DIA-2b784ede-2
0.494
DAR-DIA-2b784ede-3
0.494
NIM-NMI-8bb27a2b-8
0.490
ERI-UCB-fbdd3ea1-5
0.489
NIM-NMI-8bb27a2b-1
0.489
DAR-DIA-2b784ede-22
0.489
DAR-DIA-2b784ede-21
0.489
LON-WEI-b8d98729-46
0.485
NIM-NMI-8bb27a2b-7
0.485
NIM-NMI-8bb27a2b-10
0.484
ERI-UCB-fbdd3ea1-25
0.483
LON-WEI-adc59df6-61
0.482
LON-WEI-b8d98729-43
0.480
ERI-UCB-fbdd3ea1-10
0.475
NIM-NMI-8bb27a2b-13
0.474
ERI-UCB-fbdd3ea1-8
0.474
ERI-UCB-fbdd3ea1-29
0.472
NIM-NMI-8bb27a2b-14
0.470
LON-WEI-babf2c61-10
0.465
DAR-DIA-2b784ede-23
0.463
DAR-DIA-2b784ede-19
0.462
DAR-DIA-2b784ede-40
0.424
DAR-DIA-2b784ede-37
0.424
LON-WEI-babf2c61-13
0.422
DAR-DIA-2b784ede-39
0.420
LON-WEI-babf2c61-12
0.417
DAR-DIA-2b784ede-38
0.410
LON-WEI-babf2c61-11
0.410
DAR-DIA-2b784ede-41
0.404
DAR-DIA-2b784ede-47
0.400
DAR-DIA-2b784ede-8
0.398
JAN-GHE-d851b096-7
0.396
ERI-UCB-fbdd3ea1-32
0.396
LON-WEI-babf2c61-14
0.394
DAR-DIA-2b784ede-25
0.392
ERI-UCB-fbdd3ea1-33
0.391
DAR-DIA-2b784ede-7
0.386
DAR-DIA-2b784ede-54
0.386
DAR-DIA-2b784ede-12
0.383
DAR-DIA-2b784ede-29
0.383
ERI-UCB-fbdd3ea1-30
0.374
DAR-DIA-2b784ede-13
0.372
DAR-DIA-2b784ede-17
0.369
DAR-DIA-2b784ede-9
0.369
LON-WEI-adc59df6-3
0.367
ERI-UCB-fbdd3ea1-31
0.366
DAR-DIA-2b784ede-27
0.366
DAR-DIA-2b784ede-11
0.365
LON-WEI-adc59df6-51
0.362
ERI-UCB-fbdd3ea1-15
0.361
DAR-DIA-2b784ede-10
0.358
DAR-DIA-48c639f7-16
0.357
DAR-DIA-48c639f7-11
0.355
DAR-DIA-48c639f7-15
0.355
DAR-DIA-2b784ede-15
0.354
DAR-DIA-2b784ede-16
0.351
LON-WEI-adc59df6-50
0.351
MIC-UNK-96659df2-4
0.350
ALF-EVA-46063d6e-5
0.349
ROB-UNI-269bf23d-1
0.349
ALF-EVA-46063d6e-4
0.349
PAU-WEI-df8f33bc-2
0.345
ALP-POS-02c6a514-44
0.345
RAL-MED-9a5eb9cb-10
0.344
ALF-EVA-46063d6e-7
0.343
DAR-DIA-2b784ede-14
0.342
DAR-DIA-2b784ede-18
0.339
ALF-EVA-46063d6e-1
0.339
DAR-DIA-48c639f7-12
0.333
DAR-DIA-48c639f7-18
0.333