Molecular Properties | |
SMILES: | C=CC(=O)N(c1cc(C(C)(C)C)on1)C(C(=O)NC(C)(C)C)c1ccccc1 |
MW: | 383.22 |
Fraction sp3: | 0.41 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 75.44 |
cLogP: | 4.15 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Long aliphatic chain
AAR-POS-d2a4d1df-1
ERI-UCB-fbdd3ea1-26
0.768
LON-WEI-b8d98729-23
0.716
ERI-UCB-fbdd3ea1-29
0.662
ERI-UCB-fbdd3ea1-25
0.636
ERI-UCB-fbdd3ea1-27
0.575
ERI-UCB-fbdd3ea1-32
0.551
NIM-NMI-8bb27a2b-10
0.551
NIM-NMI-8bb27a2b-3
0.548
ERI-UCB-fbdd3ea1-6
0.534
NIM-NMI-8bb27a2b-4
0.529
NIM-NMI-8bb27a2b-11
0.529
ERI-UCB-fbdd3ea1-7
0.529
ERI-UCB-fbdd3ea1-9
0.529
ERI-UCB-fbdd3ea1-33
0.524
NIM-NMI-8bb27a2b-2
0.523
NIM-NMI-8bb27a2b-6
0.523
NIM-NMI-8bb27a2b-12
0.511
NIM-NMI-8bb27a2b-5
0.511
DAR-DIA-2b784ede-31
0.506
ERI-UCB-fbdd3ea1-5
0.505
NIM-NMI-8bb27a2b-1
0.505
LON-WEI-b8d98729-43
0.495
ERI-UCB-fbdd3ea1-30
0.494
NIM-NMI-8bb27a2b-9
0.490
ERI-UCB-fbdd3ea1-8
0.489
NIM-NMI-8bb27a2b-13
0.489
LON-WEI-b8d98729-46
0.484
NIM-NMI-8bb27a2b-7
0.484
ERI-UCB-fbdd3ea1-31
0.484
ERI-UCB-fbdd3ea1-28
0.480
LON-WEI-babf2c61-10
0.479
LON-WEI-b8d98729-15
0.474
ERI-UCB-fbdd3ea1-10
0.474
NIM-NMI-8bb27a2b-8
0.474
LON-WEI-babf2c61-12
0.474
NIM-NMI-8bb27a2b-14
0.469
LON-WEI-babf2c61-13
0.464
ERI-UCB-fbdd3ea1-34
0.459
LON-WEI-babf2c61-11
0.450
DAR-DIA-2b784ede-35
0.439
LON-WEI-babf2c61-14
0.433
DAR-DIA-2b784ede-32
0.424
DAR-DIA-2b784ede-33
0.422
ERI-UCB-fbdd3ea1-15
0.418
JAN-GHE-d851b096-7
0.408
LON-WEI-8f408cad-8
0.402
ERI-UCB-fbdd3ea1-13
0.402
ERI-UCB-fbdd3ea1-11
0.396
LON-WEI-adc59df6-81
0.393
LON-WEI-adc59df6-73
0.391
RIT-AID-a497c99f-1
0.388
LON-WEI-adc59df6-101
0.387
ERI-UCB-fbdd3ea1-14
0.386
LON-WEI-8f408cad-9
0.383
JAN-GHE-d851b096-8
0.380
LON-WEI-adc59df6-103
0.379
ERI-UCB-fbdd3ea1-12
0.379
ERI-UCB-fbdd3ea1-17
0.379
LON-WEI-adc59df6-54
0.378
LON-WEI-adc59df6-80
0.378
LON-WEI-adc59df6-56
0.378
LON-WEI-adc59df6-53
0.378
ERI-UCB-fbdd3ea1-16
0.375
DAR-DIA-2b784ede-36
0.374
LON-WEI-b8d98729-6
0.374
LON-WEI-b8d98729-7
0.374
RAL-MED-9a5eb9cb-12
0.374
LON-WEI-adc59df6-70
0.374
ERI-UCB-fbdd3ea1-4
0.374
LON-WEI-adc59df6-60
0.374
DAR-DIA-2b784ede-34
0.371
LON-WEI-adc59df6-58
0.370
LON-WEI-adc59df6-79
0.368
LON-WEI-adc59df6-74
0.368
LON-WEI-adc59df6-95
0.368
LON-WEI-b8d98729-32
0.366
LON-WEI-d1c9908a-1
0.366
LON-WEI-b8d98729-10
0.362
LON-WEI-adc59df6-82
0.362
LON-WEI-adc59df6-84
0.361
LON-WEI-adc59df6-83
0.360
LON-WEI-adc59df6-57
0.358
LON-WEI-adc59df6-91
0.358
LON-WEI-adc59df6-78
0.357
LON-WEI-adc59df6-77
0.356
NIR-WEI-f9286bb6-2
0.355
LON-WEI-adc59df6-87
0.354
LON-WEI-adc59df6-68
0.354
LON-WEI-adc59df6-61
0.352
LON-WEI-adc59df6-62
0.351
LON-WEI-adc59df6-63
0.351
LON-WEI-adc59df6-71
0.351
LON-WEI-adc59df6-100
0.350
LON-WEI-adc59df6-65
0.350
LON-WEI-adc59df6-104
0.350
LON-WEI-b8d98729-31
0.347
LON-WEI-adc59df6-88
0.346
LON-WEI-adc59df6-51
0.344
LON-WEI-adc59df6-85
0.343
LON-WEI-adc59df6-55
0.340