Molecular Properties | |
SMILES: | C=CC(=O)N(c1cc(C(C)(C)C)on1)C(C(=O)NC(C)(C)C)c1cc[nH]c(=O)c1 |
MW: | 400.21 |
Fraction sp3: | 0.43 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 108.3 |
cLogP: | 2.84 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Long aliphatic chain
AAR-POS-d2a4d1df-1
ERI-UCB-fbdd3ea1-24
0.662
ERI-UCB-fbdd3ea1-26
0.662
LON-WEI-b8d98729-23
0.622
ERI-UCB-fbdd3ea1-25
0.553
ERI-UCB-fbdd3ea1-27
0.490
NIM-NMI-8bb27a2b-11
0.479
NIM-NMI-8bb27a2b-3
0.478
NIM-NMI-8bb27a2b-6
0.474
DAR-DIA-2b784ede-31
0.472
ERI-UCB-fbdd3ea1-6
0.469
NIM-NMI-8bb27a2b-5
0.464
NIM-NMI-8bb27a2b-12
0.464
ERI-UCB-fbdd3ea1-7
0.463
ERI-UCB-fbdd3ea1-9
0.463
NIM-NMI-8bb27a2b-4
0.463
NIM-NMI-8bb27a2b-2
0.458
ERI-UCB-fbdd3ea1-33
0.456
ERI-UCB-fbdd3ea1-5
0.444
NIM-NMI-8bb27a2b-1
0.444
NIM-NMI-8bb27a2b-10
0.440
ERI-UCB-fbdd3ea1-32
0.440
ERI-UCB-fbdd3ea1-28
0.438
ERI-UCB-fbdd3ea1-30
0.433
LON-WEI-b8d98729-15
0.433
ERI-UCB-fbdd3ea1-8
0.431
NIM-NMI-8bb27a2b-13
0.431
LON-WEI-b8d98729-46
0.427
NIM-NMI-8bb27a2b-7
0.427
ERI-UCB-fbdd3ea1-31
0.424
LON-WEI-babf2c61-13
0.423
LON-WEI-babf2c61-10
0.423
LON-WEI-b8d98729-43
0.423
NIM-NMI-8bb27a2b-8
0.419
NIM-NMI-8bb27a2b-9
0.419
ERI-UCB-fbdd3ea1-10
0.419
LON-WEI-babf2c61-12
0.419
NIM-NMI-8bb27a2b-14
0.415
LON-WEI-babf2c61-11
0.411
DAR-DIA-2b784ede-32
0.398
LON-WEI-babf2c61-14
0.396
DAR-DIA-2b784ede-33
0.396
RIT-AID-a497c99f-1
0.393
DAR-DIA-2b784ede-35
0.387
ERI-UCB-fbdd3ea1-34
0.380
LON-WEI-adc59df6-60
0.379
LON-WEI-adc59df6-53
0.368
LON-WEI-adc59df6-54
0.368
ERI-UCB-fbdd3ea1-15
0.364
LON-WEI-8f408cad-8
0.362
LON-WEI-adc59df6-58
0.361
LON-WEI-adc59df6-68
0.359
JAN-GHE-d851b096-7
0.358
ERI-UCB-fbdd3ea1-11
0.357
ERI-UCB-fbdd3ea1-17
0.356
LON-WEI-adc59df6-49
0.355
LON-WEI-adc59df6-57
0.350
ERI-UCB-fbdd3ea1-13
0.350
LON-WEI-adc59df6-55
0.347
LON-WEI-adc59df6-81
0.340
LON-WEI-adc59df6-73
0.340
ERI-UCB-fbdd3ea1-16
0.340
ERI-UCB-fbdd3ea1-4
0.337
LON-WEI-adc59df6-70
0.337
RAL-MED-9a5eb9cb-12
0.337
LON-WEI-adc59df6-51
0.337
LON-WEI-adc59df6-101
0.337
LON-WEI-adc59df6-74
0.333
LON-WEI-8f408cad-9
0.333
DAR-DIA-2b784ede-36
0.330
ERI-UCB-fbdd3ea1-12
0.330
LON-WEI-adc59df6-103
0.330
JAN-GHE-d851b096-8
0.330
LON-WEI-b8d98729-32
0.330
LON-WEI-adc59df6-61
0.330
DAR-DIA-2b784ede-34
0.327
LON-WEI-adc59df6-88
0.327
LON-WEI-adc59df6-59
0.327
LON-WEI-adc59df6-82
0.327
LON-WEI-adc59df6-56
0.327
LON-WEI-adc59df6-80
0.327
LON-WEI-adc59df6-91
0.324
LON-WEI-b8d98729-7
0.323
LON-WEI-b8d98729-6
0.323
LON-WEI-adc59df6-79
0.320
LON-WEI-adc59df6-95
0.320
LON-WEI-adc59df6-48
0.320
LON-WEI-adc59df6-100
0.318
LON-WEI-d1c9908a-1
0.317
LON-WEI-adc59df6-84
0.314
LON-WEI-b8d98729-10
0.314
LON-WEI-adc59df6-50
0.313
LON-WEI-adc59df6-78
0.311
LON-WEI-adc59df6-87
0.308
LON-WEI-adc59df6-65
0.306
LON-WEI-adc59df6-104
0.306
ERI-UCB-fbdd3ea1-14
0.304
LON-WEI-adc59df6-83
0.303
LON-WEI-b8d98729-31
0.303
LON-WEI-adc59df6-99
0.301
LON-WEI-adc59df6-77
0.301