Molecular Properties | |
SMILES: | C=CC(=O)N(c1cc(C(C)(C)C)on1)[C@@H](C(=O)Nc1c(C)cccc1CC)c1cnccc1C |
MW: | 460.25 |
Fraction sp3: | 0.33 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 88.33 |
cLogP: | 5.45 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
DAR-DIA-2b784ede-34
0.874
DAR-DIA-2b784ede-36
0.865
LON-WEI-b8d98729-46
0.720
DAR-DIA-2b784ede-31
0.674
DAR-DIA-2b784ede-8
0.649
DAR-DIA-2b784ede-7
0.625
DAR-DIA-2b784ede-12
0.624
DAR-DIA-2b784ede-9
0.602
DAR-DIA-2b784ede-17
0.600
DAR-DIA-2b784ede-13
0.598
DAR-DIA-2b784ede-11
0.596
DAR-DIA-2b784ede-10
0.584
DAR-DIA-2b784ede-33
0.581
DAR-DIA-2b784ede-32
0.579
NIM-NMI-8bb27a2b-6
0.577
DAR-DIA-2b784ede-16
0.566
DAR-DIA-2b784ede-15
0.565
DAR-DIA-2b784ede-38
0.554
DAR-DIA-2b784ede-18
0.551
DAR-DIA-2b784ede-14
0.550
NIM-NMI-8bb27a2b-7
0.538
DAR-DIA-2b784ede-47
0.538
LON-WEI-b8d98729-15
0.514
DAR-DIA-2b784ede-39
0.505
NIM-NMI-8bb27a2b-3
0.490
LON-WEI-d1c9908a-10
0.486
NIM-NMI-8bb27a2b-12
0.476
ERI-UCB-fbdd3ea1-7
0.476
LON-WEI-b8d98729-23
0.475
LON-WEI-b8d98729-20
0.473
NIM-NMI-8bb27a2b-2
0.471
ERI-UCB-fbdd3ea1-26
0.469
ERI-UCB-fbdd3ea1-6
0.467
ERI-UCB-fbdd3ea1-28
0.464
LON-WEI-b8d98729-39
0.463
ERI-UCB-fbdd3ea1-1
0.463
ERI-UCB-fbdd3ea1-2
0.463
NIM-NMI-8bb27a2b-4
0.462
NIM-NMI-8bb27a2b-11
0.462
ERI-UCB-fbdd3ea1-9
0.462
NIM-NMI-8bb27a2b-9
0.459
ERI-UCB-fbdd3ea1-5
0.458
NIM-NMI-8bb27a2b-1
0.458
LON-WEI-b8d98729-43
0.450
LON-WEI-b8d98729-18
0.450
NIM-NMI-8bb27a2b-5
0.449
NIM-NMI-8bb27a2b-8
0.446
ERI-UCB-fbdd3ea1-8
0.445
ERI-UCB-fbdd3ea1-27
0.444
NIM-NMI-8bb27a2b-14
0.442
LON-WEI-b8d98729-42
0.441
LON-WEI-d1c9908a-8
0.441
LON-WEI-b8d98729-2
0.440
NIM-NMI-8bb27a2b-10
0.440
DAR-DIA-2b784ede-42
0.440
ERI-UCB-fbdd3ea1-24
0.439
LON-WEI-babf2c61-10
0.438
LON-WEI-b8d98729-29
0.436
ERI-UCB-fbdd3ea1-25
0.436
ERI-UCB-fbdd3ea1-10
0.434
NIM-NMI-8bb27a2b-13
0.432
LON-WEI-b8d98729-45
0.429
DAR-DIA-2b784ede-37
0.427
DAR-DIA-2b784ede-29
0.426
LON-WEI-b8d98729-48
0.424
LON-WEI-babf2c61-12
0.409
DAR-DIA-2b784ede-27
0.408
DAR-DIA-2b784ede-5
0.408
LON-WEI-adc59df6-61
0.406
DAR-DIA-2b784ede-6
0.402
DAR-DIA-2b784ede-40
0.402
LON-WEI-babf2c61-13
0.400
ERI-UCB-fbdd3ea1-3
0.396
DAR-DIA-2b784ede-30
0.394
DAR-DIA-2b784ede-48
0.393
DAR-DIA-2b784ede-1
0.393
DAR-DIA-2b784ede-2
0.390
LON-WEI-babf2c61-11
0.390
ERI-UCB-fbdd3ea1-29
0.387
DAR-DIA-2b784ede-45
0.387
DAR-DIA-2b784ede-41
0.385
DAR-DIA-2b784ede-54
0.381
DAR-DIA-2b784ede-4
0.379
DAR-DIA-2b784ede-3
0.377
JAN-GHE-d851b096-7
0.377
LON-WEI-babf2c61-14
0.377
DAR-DIA-2b784ede-28
0.373
DAR-DIA-2b784ede-24
0.372
DAR-DIA-2b784ede-20
0.369
DAR-DIA-2b784ede-43
0.367
DAR-DIA-2b784ede-46
0.366
ERI-UCB-fbdd3ea1-32
0.365
DAR-DIA-2b784ede-22
0.354
DAR-DIA-2b784ede-21
0.351
NIM-NMI-8bb27a2b-22
0.348
DAR-DIA-2b784ede-23
0.348
DAR-DIA-2b784ede-50
0.347
DAR-DIA-2b784ede-51
0.347
DAR-DIA-2b784ede-26
0.346
ERI-UCB-fbdd3ea1-33
0.346