Molecular Properties | |
SMILES: | C=CC(=O)N(c1cc(C(C)(C)C)on1)C(C(=O)Nc1c(C)cccc1CC)c1cccnc1 |
MW: | 446.551 |
Fraction sp3: | 0.31 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 88.33 |
cLogP: | 5.13692 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Enamine SCR: | Z4439011581 |
Order Status | |
Shipped: | 2020-04-09 |
AAR-POS-d2a4d1df-1
NIM-NMI-8bb27a2b-6
0.821
NIM-NMI-8bb27a2b-7
0.758
DAR-DIA-2b784ede-35
0.720
LON-WEI-b8d98729-15
0.670
LON-WEI-d1c9908a-10
0.660
LON-WEI-b8d98729-23
0.659
NIM-NMI-8bb27a2b-3
0.656
NIM-NMI-8bb27a2b-2
0.645
LON-WEI-b8d98729-20
0.636
NIM-NMI-8bb27a2b-11
0.634
ERI-UCB-fbdd3ea1-9
0.634
NIM-NMI-8bb27a2b-4
0.634
ERI-UCB-fbdd3ea1-7
0.634
NIM-NMI-8bb27a2b-12
0.632
DAR-DIA-2b784ede-34
0.630
DAR-DIA-2b784ede-36
0.627
LON-WEI-b8d98729-43
0.626
ERI-UCB-fbdd3ea1-6
0.621
NIM-NMI-8bb27a2b-5
0.615
ERI-UCB-fbdd3ea1-2
0.612
LON-WEI-b8d98729-39
0.612
ERI-UCB-fbdd3ea1-1
0.612
NIM-NMI-8bb27a2b-1
0.608
ERI-UCB-fbdd3ea1-5
0.608
NIM-NMI-8bb27a2b-9
0.604
NIM-NMI-8bb27a2b-8
0.604
LON-WEI-b8d98729-2
0.602
NIM-NMI-8bb27a2b-10
0.602
LON-WEI-b8d98729-42
0.600
LON-WEI-b8d98729-18
0.596
LON-WEI-b8d98729-29
0.596
LON-WEI-babf2c61-10
0.594
ERI-UCB-fbdd3ea1-28
0.592
DAR-DIA-2b784ede-42
0.590
ERI-UCB-fbdd3ea1-8
0.590
NIM-NMI-8bb27a2b-13
0.590
LON-WEI-b8d98729-45
0.584
LON-WEI-d1c9908a-8
0.584
NIM-NMI-8bb27a2b-14
0.583
ERI-UCB-fbdd3ea1-10
0.573
LON-WEI-b8d98729-48
0.556
DAR-DIA-2b784ede-48
0.538
ERI-UCB-fbdd3ea1-3
0.535
DAR-DIA-2b784ede-45
0.528
JAN-GHE-d851b096-7
0.510
ERI-UCB-fbdd3ea1-33
0.485
DAR-DIA-2b784ede-31
0.485
ERI-UCB-fbdd3ea1-24
0.484
ERI-UCB-fbdd3ea1-26
0.484
DAR-DIA-2b784ede-50
0.482
DAR-DIA-2b784ede-8
0.481
ERI-UCB-fbdd3ea1-32
0.481
ERI-UCB-fbdd3ea1-31
0.481
NIM-NMI-8bb27a2b-22
0.480
DAR-DIA-2b784ede-52
0.477
ERI-UCB-fbdd3ea1-30
0.476
DAR-DIA-2b784ede-46
0.474
DAR-DIA-2b784ede-51
0.468
DAR-DIA-2b784ede-12
0.464
LON-WEI-babf2c61-12
0.459
DAR-DIA-2b784ede-7
0.458
NIM-NMI-8bb27a2b-21
0.454
LON-WEI-babf2c61-13
0.450
DAR-DIA-2b784ede-9
0.440
DAR-DIA-2b784ede-53
0.440
LON-WEI-babf2c61-11
0.439
DAR-DIA-2b784ede-13
0.437
DAR-DIA-2b784ede-11
0.436
DAR-DIA-2b784ede-17
0.436
ERI-UCB-fbdd3ea1-25
0.436
ERI-UCB-fbdd3ea1-12
0.429
DAR-DIA-2b784ede-10
0.429
ERI-UCB-fbdd3ea1-29
0.427
LON-WEI-adc59df6-73
0.427
LON-WEI-babf2c61-14
0.424
ALP-POS-95f71980-16
0.424
ERI-UCB-fbdd3ea1-34
0.421
LON-WEI-adc59df6-30
0.416
DAR-DIA-2b784ede-32
0.415
LON-WEI-adc59df6-16
0.414
DAR-DIA-2b784ede-33
0.413
LON-WEI-adc59df6-46
0.413
DAR-DIA-2b784ede-44
0.412
ERI-UCB-fbdd3ea1-16
0.411
DAR-DIA-2b784ede-49
0.410
ERI-UCB-fbdd3ea1-13
0.410
ERI-UCB-fbdd3ea1-15
0.410
DAR-DIA-2b784ede-14
0.408
DAR-DIA-2b784ede-15
0.408
LON-WEI-adc59df6-44
0.408
DAR-DIA-2b784ede-16
0.407
DAR-DIA-2b784ede-18
0.407
LON-WEI-adc59df6-15
0.405
LON-WEI-adc59df6-3
0.404
ERI-UCB-fbdd3ea1-11
0.404
LON-WEI-adc59df6-4
0.404
LON-WEI-adc59df6-43
0.404
DAR-DIA-2b784ede-38
0.402
DAR-DIA-2b784ede-43
0.402
LON-WEI-adc59df6-31
0.400