Molecular Properties | |
SMILES: | C=CC(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)Nc1c(CC)cccc1CO)c1cnccc1C |
MW: | 485.27 |
Fraction sp3: | 0.3 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 82.53 |
cLogP: | 5.64 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
DAR-DIA-2b784ede-38
0.782
DAR-DIA-2b784ede-37
0.649
LON-WEI-adc59df6-61
0.628
DAR-DIA-2b784ede-40
0.615
DAR-DIA-2b784ede-9
0.598
DAR-DIA-2b784ede-41
0.584
DAR-DIA-2b784ede-10
0.580
DAR-DIA-2b784ede-7
0.556
LON-WEI-d1c9908a-10
0.556
DAR-DIA-2b784ede-16
0.547
DAR-DIA-2b784ede-11
0.545
DAR-DIA-2b784ede-53
0.535
DAR-DIA-2b784ede-15
0.532
DAR-DIA-2b784ede-4
0.505
DAR-DIA-2b784ede-35
0.505
DAR-DIA-2b784ede-47
0.505
DAR-DIA-2b784ede-18
0.505
DAR-DIA-2b784ede-3
0.500
DAR-DIA-2b784ede-14
0.491
DAR-DIA-2b784ede-34
0.491
LON-WEI-b8d98729-39
0.486
ERI-UCB-fbdd3ea1-2
0.486
ERI-UCB-fbdd3ea1-1
0.486
DAR-DIA-2b784ede-2
0.485
LON-WEI-adc59df6-50
0.484
DAR-DIA-2b784ede-6
0.484
LON-WEI-adc59df6-51
0.479
DAR-DIA-2b784ede-8
0.477
DAR-DIA-2b784ede-52
0.472
LON-WEI-adc59df6-30
0.469
LON-WEI-adc59df6-14
0.465
DAR-DIA-2b784ede-36
0.464
LON-WEI-adc59df6-46
0.462
DAR-DIA-2b784ede-12
0.459
LON-WEI-adc59df6-44
0.459
LON-WEI-adc59df6-3
0.457
LON-WEI-adc59df6-5
0.457
LON-WEI-adc59df6-35
0.455
LON-WEI-adc59df6-42
0.455
DAR-DIA-48c639f7-15
0.455
DAR-DIA-48c639f7-11
0.455
LON-WEI-adc59df6-56
0.454
LON-WEI-adc59df6-12
0.453
LON-WEI-adc59df6-15
0.453
LON-WEI-adc59df6-9
0.453
LON-WEI-adc59df6-39
0.452
DAR-DIA-2b784ede-21
0.451
LON-WEI-adc59df6-31
0.450
LON-WEI-adc59df6-16
0.449
LON-WEI-d1c9908a-9
0.449
LON-WEI-8f408cad-8
0.448
LON-WEI-adc59df6-41
0.447
LON-WEI-adc59df6-8
0.447
NIM-NMI-8bb27a2b-22
0.447
DAR-DIA-2b784ede-30
0.444
LON-WEI-d1c9908a-3
0.444
DAR-DIA-2b784ede-17
0.443
LON-WEI-adc59df6-21
0.443
LON-WEI-adc59df6-36
0.442
LON-WEI-d1c9908a-7
0.442
ROB-UNI-269bf23d-1
0.440
LON-WEI-adc59df6-24
0.440
LON-WEI-adc59df6-37
0.439
LON-WEI-adc59df6-33
0.439
LON-WEI-adc59df6-34
0.439
DAR-DIA-2b784ede-22
0.438
LON-WEI-adc59df6-28
0.437
LON-WEI-adc59df6-29
0.436
LON-WEI-adc59df6-18
0.434
DAR-DIA-2b784ede-29
0.434
LON-WEI-adc59df6-52
0.433
DAR-DIA-2b784ede-13
0.432
DAR-DIA-48c639f7-18
0.431
DAR-DIA-48c639f7-12
0.431
DAR-DIA-48c639f7-16
0.431
LON-WEI-adc59df6-55
0.430
LON-WEI-adc59df6-2
0.430
DAR-DIA-2b784ede-19
0.429
LON-WEI-adc59df6-40
0.429
LON-WEI-adc59df6-17
0.427
LON-WEI-adc59df6-26
0.427
ALP-POS-780445ae-1
0.426
LON-WEI-adc59df6-38
0.424
LON-WEI-adc59df6-43
0.423
LON-WEI-adc59df6-4
0.423
LON-WEI-b8d98729-2
0.422
LON-WEI-adc59df6-7
0.422
NIM-NMI-8bb27a2b-21
0.422
LON-WEI-adc59df6-59
0.422
PAU-WEI-df8f33bc-2
0.421
ALP-POS-02c6a514-44
0.421
LON-WEI-adc59df6-1
0.421
LON-WEI-adc59df6-20
0.421
DAR-DIA-2b784ede-31
0.420
ALF-EVA-46063d6e-7
0.420
LON-WEI-adc59df6-27
0.419
DAR-DIA-2b784ede-28
0.419
LON-WEI-adc59df6-48
0.418
LON-WEI-b8d98729-18
0.418
LON-WEI-b8d98729-29
0.418