Molecular Properties | |
SMILES: | C=CC(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)Nc1cc(CC)ccc1C)c1cnccc1C |
MW: | 469.27 |
Fraction sp3: | 0.3 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 62.3 |
cLogP: | 6.46 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
DAR-DIA-2b784ede-40
0.833
DAR-DIA-2b784ede-41
0.787
LON-WEI-adc59df6-61
0.655
DAR-DIA-2b784ede-39
0.649
DAR-DIA-2b784ede-38
0.621
DAR-DIA-2b784ede-4
0.527
DAR-DIA-2b784ede-9
0.525
DAR-DIA-2b784ede-10
0.510
LON-WEI-adc59df6-50
0.505
DAR-DIA-2b784ede-3
0.505
LON-WEI-adc59df6-51
0.500
DAR-DIA-48c639f7-11
0.486
DAR-DIA-48c639f7-15
0.473
DAR-DIA-48c639f7-18
0.460
DAR-DIA-2b784ede-2
0.459
DAR-DIA-2b784ede-6
0.458
DAR-DIA-2b784ede-7
0.457
LON-WEI-d1c9908a-10
0.457
DAR-DIA-2b784ede-15
0.456
DAR-DIA-2b784ede-16
0.455
LON-WEI-adc59df6-16
0.453
LON-WEI-adc59df6-48
0.453
ALF-EVA-46063d6e-7
0.450
LON-WEI-adc59df6-55
0.449
DAR-DIA-2b784ede-11
0.449
LON-WEI-d1c9908a-3
0.449
DAR-DIA-48c639f7-12
0.447
ALF-EVA-46063d6e-6
0.447
DAR-DIA-48c639f7-16
0.447
LON-WEI-adc59df6-42
0.446
ROB-UNI-269bf23d-1
0.444
LON-WEI-adc59df6-33
0.443
LON-WEI-adc59df6-56
0.443
LON-WEI-adc59df6-30
0.443
DAR-DIA-2b784ede-22
0.442
ALF-EVA-46063d6e-4
0.441
DAR-DIA-2b784ede-21
0.441
LON-WEI-adc59df6-31
0.440
LON-WEI-adc59df6-59
0.440
LON-WEI-d1c9908a-9
0.439
LON-WEI-adc59df6-46
0.438
PAU-WEI-df8f33bc-2
0.438
ALP-POS-02c6a514-44
0.438
LON-WEI-8f408cad-8
0.438
LON-WEI-adc59df6-57
0.436
DAR-DIA-2b784ede-30
0.434
LON-WEI-adc59df6-5
0.434
LON-WEI-adc59df6-21
0.433
LON-WEI-adc59df6-36
0.433
LON-WEI-adc59df6-3
0.432
LON-WEI-adc59df6-24
0.431
ALF-EVA-46063d6e-5
0.431
ALF-EVA-719172df-1
0.431
LON-WEI-adc59df6-9
0.430
LON-WEI-adc59df6-12
0.430
LON-WEI-adc59df6-15
0.430
ALP-POS-780445ae-1
0.430
ALF-EVA-719172df-2
0.430
ALF-EVA-46063d6e-3
0.430
DAR-DIA-2b784ede-35
0.427
DAR-DIA-48c639f7-9
0.427
ALF-EVA-719172df-3
0.426
LON-WEI-adc59df6-14
0.426
LON-WEI-adc59df6-29
0.426
LON-WEI-adc59df6-18
0.425
DAR-DIA-2b784ede-31
0.424
DAR-DIA-48c639f7-10
0.423
LON-WEI-adc59df6-41
0.423
ALF-EVA-719172df-5
0.422
ALP-POS-d0876c20-1
0.422
DAR-DIA-48c639f7-14
0.421
LON-WEI-adc59df6-2
0.421
DAR-DIA-2b784ede-5
0.420
LON-WEI-adc59df6-44
0.420
LON-WEI-d1c9908a-7
0.419
LON-WEI-adc59df6-35
0.417
LON-WEI-adc59df6-17
0.417
LON-WEI-adc59df6-26
0.417
DAR-DIA-2b784ede-18
0.417
LON-WEI-adc59df6-34
0.417
LON-WEI-adc59df6-37
0.417
LON-WEI-adc59df6-49
0.417
DAR-DIA-2b784ede-34
0.416
LON-WEI-adc59df6-38
0.415
DAR-DIA-48c639f7-13
0.415
DAR-DIA-2b784ede-8
0.414
LON-WEI-adc59df6-4
0.414
LON-WEI-adc59df6-45
0.414
LON-WEI-adc59df6-43
0.414
LON-WEI-adc59df6-53
0.414
LON-WEI-adc59df6-28
0.413
LON-WEI-adc59df6-7
0.413
DAR-DIA-2b784ede-33
0.412
LON-WEI-adc59df6-20
0.411
RIT-AID-a497c99f-1
0.411
LON-WEI-adc59df6-60
0.410
LON-WEI-adc59df6-27
0.410
DAR-DIA-2b784ede-28
0.410
LON-WEI-adc59df6-8
0.410
LON-WEI-adc59df6-52
0.410