Molecular Properties | |
SMILES: | C=CC(=O)N(C1CCC2(CCCC2)CC1)C(C(=O)NC(C)(C)C)c1cccnc1 |
MW: | 397.563 |
Fraction sp3: | 0.62 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 62.3 |
cLogP: | 4.555 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
MolPort: | MolPort-047-480-406 |
Order Status | |
Shipped: | 2020-05-20 |
Long aliphatic chain
AAR-POS-d2a4d1df-1
LON-WEI-adc59df6-92
0.765
ERI-UCB-fbdd3ea1-18
0.679
ERI-UCB-fbdd3ea1-21
0.663
LON-WEI-adc59df6-67
0.659
LON-WEI-adc59df6-89
0.640
ERI-UCB-fbdd3ea1-23
0.636
ERI-UCB-fbdd3ea1-19
0.634
ERI-UCB-fbdd3ea1-22
0.631
ERI-UCB-fbdd3ea1-20
0.621
LON-WEI-adc59df6-86
0.616
LON-WEI-adc59df6-75
0.612
LON-WEI-adc59df6-97
0.612
LON-WEI-adc59df6-99
0.575
LON-WEI-adc59df6-98
0.565
LON-WEI-adc59df6-96
0.563
LON-WEI-adc59df6-69
0.557
LON-WEI-adc59df6-93
0.545
LON-WEI-adc59df6-64
0.543
RAL-MED-9a5eb9cb-8
0.522
LON-WEI-adc59df6-62
0.522
LON-WEI-adc59df6-63
0.522
LON-WEI-adc59df6-71
0.522
LON-WEI-adc59df6-90
0.505
LON-WEI-d1c9908a-1
0.495
LON-WEI-adc59df6-72
0.489
LON-WEI-adc59df6-85
0.479
RAL-MED-9a5eb9cb-12
0.473
ERI-UCB-fbdd3ea1-4
0.473
LON-WEI-8f408cad-8
0.472
ERI-UCB-fbdd3ea1-31
0.469
LON-WEI-adc59df6-83
0.465
LON-WEI-adc59df6-79
0.463
LON-WEI-adc59df6-95
0.463
JAN-GHE-d851b096-8
0.462
LON-WEI-adc59df6-80
0.462
LON-WEI-adc59df6-81
0.462
LON-WEI-b8d98729-6
0.457
LON-WEI-b8d98729-7
0.457
LON-WEI-adc59df6-70
0.457
LON-WEI-adc59df6-101
0.453
ERI-UCB-fbdd3ea1-30
0.449
LON-WEI-adc59df6-74
0.448
LON-WEI-b8d98729-32
0.447
ERI-UCB-fbdd3ea1-11
0.447
LON-WEI-adc59df6-76
0.444
LON-WEI-b8d98729-10
0.442
LON-WEI-adc59df6-73
0.442
LON-WEI-adc59df6-82
0.442
LON-WEI-adc59df6-91
0.438
ERI-UCB-fbdd3ea1-15
0.438
NIR-WEI-f9286bb6-2
0.436
LON-WEI-8f408cad-9
0.433
LON-WEI-b8d98729-23
0.432
LON-WEI-adc59df6-68
0.430
LON-WEI-adc59df6-102
0.429
LON-WEI-adc59df6-103
0.429
ERI-UCB-fbdd3ea1-17
0.429
LON-WEI-adc59df6-65
0.426
LON-WEI-adc59df6-84
0.424
ERI-UCB-fbdd3ea1-16
0.424
ERI-UCB-fbdd3ea1-13
0.423
LON-WEI-adc59df6-78
0.420
LON-WEI-adc59df6-88
0.419
LON-WEI-adc59df6-87
0.416
ERI-UCB-fbdd3ea1-12
0.414
LON-WEI-adc59df6-100
0.412
LON-WEI-adc59df6-104
0.412
DAR-DIA-2b784ede-44
0.411
LON-WEI-b8d98729-31
0.408
LON-WEI-adc59df6-66
0.404
LON-WEI-adc59df6-14
0.398
LON-WEI-adc59df6-44
0.392
LON-WEI-adc59df6-35
0.390
LON-WEI-adc59df6-21
0.389
LON-WEI-adc59df6-77
0.389
RAL-MED-9a5eb9cb-14
0.385
LON-WEI-adc59df6-8
0.382
ERI-UCB-fbdd3ea1-14
0.380
ERI-UCB-fbdd3ea1-7
0.379
NIM-NMI-8bb27a2b-3
0.376
NIM-NMI-8bb27a2b-17
0.374
RAL-MED-9a5eb9cb-15
0.373
RAL-MED-9a5eb9cb-6
0.372
LON-WEI-adc59df6-3
0.372
LON-WEI-d1c9908a-11
0.371
ERI-UCB-fbdd3ea1-6
0.371
LON-WEI-adc59df6-30
0.371
RAL-MED-9a5eb9cb-11
0.370
LON-WEI-d1c9908a-2
0.368
NIM-NMI-8bb27a2b-15
0.365
RAL-MED-9a5eb9cb-10
0.365
LON-WEI-d1c9908a-5
0.364
ERI-UCB-fbdd3ea1-5
0.364
NIM-NMI-8bb27a2b-1
0.364
LON-WEI-adc59df6-39
0.362
LON-WEI-adc59df6-32
0.358
ALP-POS-c59291d4-6
0.356
LON-WEI-adc59df6-31
0.356
LON-WEI-adc59df6-27
0.356
LON-WEI-adc59df6-41
0.356