Molecular Properties | |
SMILES: | C=CC(=O)N(c1cc2c(s1)CCCC2)C(C(=O)Nc1c(C)cccc1CO)c1cccnc1 |
MW: | 461.18 |
Fraction sp3: | 0.27 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 82.53 |
cLogP: | 4.72 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
DAR-DIA-2b784ede-48
0.555
DAR-DIA-2b784ede-45
0.545
DAR-DIA-2b784ede-44
0.492
LON-WEI-b8d98729-42
0.487
LON-WEI-d1c9908a-8
0.487
LON-WEI-b8d98729-18
0.482
LON-WEI-d1c9908a-10
0.477
LON-WEI-b8d98729-46
0.474
LON-WEI-b8d98729-2
0.473
LON-WEI-b8d98729-39
0.469
ERI-UCB-fbdd3ea1-2
0.469
LON-WEI-b8d98729-29
0.469
ERI-UCB-fbdd3ea1-1
0.469
LON-WEI-b8d98729-20
0.466
LON-WEI-b8d98729-45
0.461
LON-WEI-b8d98729-48
0.455
DAR-DIA-2b784ede-42
0.446
NIM-NMI-8bb27a2b-6
0.438
DAR-DIA-2b784ede-38
0.435
DAR-DIA-2b784ede-53
0.435
NIM-NMI-8bb27a2b-22
0.432
DAR-DIA-2b784ede-47
0.425
DAR-DIA-2b784ede-43
0.421
DAR-DIA-2b784ede-52
0.420
ERI-UCB-fbdd3ea1-3
0.417
NIM-NMI-8bb27a2b-7
0.412
NIM-NMI-8bb27a2b-21
0.410
DAR-DIA-2b784ede-49
0.407
DAR-DIA-2b784ede-51
0.402
LON-WEI-adc59df6-81
0.398
DAR-DIA-2b784ede-8
0.388
LON-WEI-b8d98729-16
0.379
DAR-DIA-2b784ede-12
0.376
DAR-DIA-2b784ede-9
0.375
LON-WEI-d1c9908a-6
0.374
LON-WEI-adc59df6-11
0.371
ERI-UCB-fbdd3ea1-15
0.368
DAR-DIA-2b784ede-50
0.368
DAR-DIA-2b784ede-7
0.367
DAR-DIA-2b784ede-10
0.366
DAR-DIA-2b784ede-35
0.366
DAR-DIA-2b784ede-17
0.364
LON-WEI-b8d98729-13
0.364
NIM-NMI-8bb27a2b-10
0.364
LON-WEI-b8d98729-26
0.363
LON-WEI-adc59df6-28
0.362
LON-WEI-adc59df6-32
0.361
LON-WEI-b8d98729-15
0.360
LON-WEI-d1c9908a-4
0.360
WAR-XCH-bdd24732-28
0.360
DAR-DIA-2b784ede-16
0.359
ERI-UCB-fbdd3ea1-14
0.358
LON-WEI-adc59df6-24
0.358
NIM-NMI-8bb27a2b-13
0.358
DAR-DIA-2b784ede-34
0.357
NIM-NMI-8bb27a2b-14
0.357
LON-WEI-adc59df6-101
0.357
DAR-DIA-2b784ede-13
0.356
ERI-UCB-fbdd3ea1-7
0.356
LON-WEI-adc59df6-40
0.356
LON-WEI-b8d98729-14
0.355
LON-WEI-adc59df6-9
0.355
LON-WEI-b8d98729-11
0.355
LON-WEI-adc59df6-102
0.355
NIM-NMI-8bb27a2b-3
0.353
LON-WEI-8f408cad-9
0.353
LON-WEI-adc59df6-39
0.353
LON-WEI-adc59df6-16
0.352
LON-WEI-b8d98729-30
0.352
LON-WEI-d1c9908a-13
0.352
DAR-DIA-2b784ede-15
0.351
LON-WEI-adc59df6-20
0.350
ERI-UCB-fbdd3ea1-6
0.350
DAR-DIA-2b784ede-11
0.350
LON-WEI-8f408cad-10
0.350
LON-WEI-d1c9908a-3
0.350
LON-WEI-b8d98729-17
0.349
ERI-UCB-fbdd3ea1-10
0.349
DAR-DIA-2b784ede-18
0.349
DAR-DIA-2b784ede-36
0.349
LON-WEI-adc59df6-14
0.348
LON-WEI-adc59df6-73
0.348
LON-WEI-adc59df6-23
0.347
LON-WEI-b8d98729-40
0.347
LON-WEI-adc59df6-25
0.347
LON-WEI-adc59df6-70
0.345
LON-WEI-adc59df6-78
0.345
JAN-GHE-d851b096-4
0.345
NIM-NMI-8bb27a2b-11
0.345
LON-WEI-adc59df6-36
0.345
LON-WEI-adc59df6-33
0.344
ERI-UCB-fbdd3ea1-5
0.344
NIM-NMI-8bb27a2b-1
0.344
LON-WEI-adc59df6-22
0.344
LON-WEI-b8d98729-8
0.344
LON-WEI-b8d98729-28
0.344
NIM-NMI-8bb27a2b-27
0.344
LON-WEI-b8d98729-37
0.344
LON-WEI-adc59df6-44
0.342
LON-WEI-adc59df6-42
0.342