Molecular Properties | |
SMILES: | C=CC(=O)N(C1CC(C)OC1=O)C(C(=O)NC(C)(C)C)c1cccnc1 |
MW: | 359.426 |
Fraction sp3: | 0.47 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 88.6 |
cLogP: | 1.756 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Order Status | |
Shipped: | 2020-05-26 |
Carboxylic acid esters
Ester
Long aliphatic chain
AAR-POS-d2a4d1df-1
LON-WEI-adc59df6-96
0.692
ERI-UCB-fbdd3ea1-18
0.590
ERI-UCB-fbdd3ea1-19
0.585
LON-WEI-adc59df6-69
0.583
LON-WEI-adc59df6-97
0.583
LON-WEI-adc59df6-75
0.583
LON-WEI-adc59df6-86
0.570
LON-WEI-adc59df6-99
0.565
ERI-UCB-fbdd3ea1-22
0.565
LON-WEI-adc59df6-62
0.563
LON-WEI-adc59df6-63
0.563
LON-WEI-adc59df6-71
0.563
LON-WEI-adc59df6-90
0.559
ERI-UCB-fbdd3ea1-21
0.558
LON-WEI-adc59df6-89
0.557
LON-WEI-adc59df6-67
0.557
ERI-UCB-fbdd3ea1-20
0.557
LON-WEI-adc59df6-98
0.556
LON-WEI-adc59df6-64
0.551
LON-WEI-adc59df6-94
0.545
LON-WEI-adc59df6-92
0.527
ERI-UCB-fbdd3ea1-23
0.522
LON-WEI-adc59df6-76
0.495
LON-WEI-adc59df6-72
0.494
LON-WEI-adc59df6-70
0.494
LON-WEI-8f408cad-8
0.494
LON-WEI-d1c9908a-1
0.483
LON-WEI-adc59df6-80
0.483
RAL-MED-9a5eb9cb-12
0.477
ERI-UCB-fbdd3ea1-4
0.477
LON-WEI-b8d98729-6
0.477
LON-WEI-b8d98729-7
0.477
LON-WEI-adc59df6-83
0.469
LON-WEI-adc59df6-85
0.468
ERI-UCB-fbdd3ea1-30
0.468
LON-WEI-8f408cad-9
0.467
LON-WEI-adc59df6-95
0.467
LON-WEI-b8d98729-23
0.467
LON-WEI-b8d98729-32
0.467
JAN-GHE-d851b096-8
0.467
LON-WEI-adc59df6-81
0.466
LON-WEI-adc59df6-103
0.462
LON-WEI-b8d98729-10
0.462
LON-WEI-adc59df6-73
0.462
LON-WEI-adc59df6-82
0.462
ERI-UCB-fbdd3ea1-31
0.458
LON-WEI-adc59df6-101
0.457
ERI-UCB-fbdd3ea1-15
0.457
LON-WEI-adc59df6-91
0.457
NIR-WEI-f9286bb6-2
0.456
LON-WEI-adc59df6-74
0.452
LON-WEI-adc59df6-79
0.452
ERI-UCB-fbdd3ea1-11
0.451
LON-WEI-adc59df6-68
0.448
LON-WEI-adc59df6-84
0.442
ERI-UCB-fbdd3ea1-16
0.442
ERI-UCB-fbdd3ea1-13
0.441
LON-WEI-adc59df6-78
0.438
LON-WEI-adc59df6-88
0.436
LON-WEI-adc59df6-66
0.434
LON-WEI-adc59df6-87
0.433
ERI-UCB-fbdd3ea1-12
0.432
ERI-UCB-fbdd3ea1-17
0.432
LON-WEI-adc59df6-100
0.429
LON-WEI-adc59df6-65
0.429
LON-WEI-adc59df6-104
0.429
LON-WEI-b8d98729-31
0.424
LON-WEI-adc59df6-102
0.417
RAL-MED-9a5eb9cb-8
0.417
ERI-UCB-fbdd3ea1-33
0.398
ERI-UCB-fbdd3ea1-14
0.394
LON-WEI-adc59df6-44
0.394
NIM-NMI-8bb27a2b-3
0.392
LON-WEI-adc59df6-21
0.391
LON-WEI-adc59df6-77
0.390
LON-WEI-adc59df6-3
0.389
RAL-MED-9a5eb9cb-14
0.387
ALP-POS-c59291d4-6
0.385
LON-WEI-adc59df6-14
0.385
LON-WEI-adc59df6-8
0.384
ERI-UCB-fbdd3ea1-7
0.380
NIM-NMI-8bb27a2b-1
0.379
ERI-UCB-fbdd3ea1-5
0.379
LON-WEI-adc59df6-35
0.378
LON-WEI-adc59df6-39
0.376
NIM-NMI-8bb27a2b-2
0.376
RAL-MED-9a5eb9cb-6
0.374
LON-WEI-adc59df6-1
0.373
ERI-UCB-fbdd3ea1-6
0.373
LON-WEI-adc59df6-30
0.372
LON-WEI-adc59df6-10
0.366
RAL-MED-9a5eb9cb-10
0.366
ALP-POS-88a7a97e-18
0.364
ERI-UCB-fbdd3ea1-32
0.362
NIR-WEI-f9286bb6-3
0.362
NIM-NMI-8bb27a2b-17
0.361
NIM-NMI-8bb27a2b-16
0.360
LON-WEI-adc59df6-19
0.358
LON-WEI-adc59df6-32
0.358
LON-WEI-adc59df6-31
0.357