Molecular Properties | |
SMILES: | C=CC(=O)N(C(CO)CC#CC)C(C(=O)NC(C)(C)C)c1cccnc1 |
MW: | 357.454 |
Fraction sp3: | 0.45 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 82.53 |
cLogP: | 1.8263 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Order Status | |
Shipped: | 2020-05-26 |
triple bond
Long aliphatic chain
AAR-POS-d2a4d1df-1
LON-WEI-adc59df6-69
0.541
LON-WEI-adc59df6-75
0.523
LON-WEI-8f408cad-8
0.506
ERI-UCB-fbdd3ea1-19
0.506
RAL-MED-9a5eb9cb-12
0.506
ERI-UCB-fbdd3ea1-4
0.506
LON-WEI-adc59df6-70
0.506
LON-WEI-b8d98729-6
0.506
LON-WEI-adc59df6-73
0.506
LON-WEI-adc59df6-97
0.506
LON-WEI-adc59df6-66
0.505
ERI-UCB-fbdd3ea1-21
0.500
LON-WEI-adc59df6-64
0.495
LON-WEI-8f408cad-9
0.494
LON-WEI-b8d98729-32
0.494
ERI-UCB-fbdd3ea1-18
0.494
LON-WEI-adc59df6-93
0.494
LON-WEI-adc59df6-96
0.494
LON-WEI-d1c9908a-1
0.494
JAN-GHE-d851b096-8
0.494
LON-WEI-adc59df6-80
0.494
LON-WEI-adc59df6-87
0.489
LON-WEI-adc59df6-71
0.489
LON-WEI-adc59df6-62
0.489
LON-WEI-adc59df6-63
0.489
LON-WEI-adc59df6-94
0.489
LON-WEI-adc59df6-103
0.489
ERI-UCB-fbdd3ea1-12
0.489
LON-WEI-b8d98729-10
0.489
LON-WEI-adc59df6-82
0.489
LON-WEI-adc59df6-99
0.489
ERI-UCB-fbdd3ea1-22
0.489
LON-WEI-b8d98729-7
0.488
LON-WEI-adc59df6-67
0.484
ERI-UCB-fbdd3ea1-20
0.484
LON-WEI-adc59df6-101
0.483
LON-WEI-adc59df6-91
0.483
ERI-UCB-fbdd3ea1-13
0.483
NIR-WEI-f9286bb6-2
0.483
LON-WEI-adc59df6-78
0.478
LON-WEI-adc59df6-79
0.478
LON-WEI-adc59df6-74
0.478
LON-WEI-adc59df6-86
0.478
LON-WEI-b8d98729-23
0.477
LON-WEI-adc59df6-81
0.477
LON-WEI-adc59df6-68
0.473
LON-WEI-adc59df6-92
0.473
ERI-UCB-fbdd3ea1-23
0.468
LON-WEI-adc59df6-98
0.468
ERI-UCB-fbdd3ea1-31
0.468
LON-WEI-adc59df6-89
0.467
LON-WEI-adc59df6-85
0.462
ERI-UCB-fbdd3ea1-30
0.462
LON-WEI-adc59df6-95
0.462
ERI-UCB-fbdd3ea1-11
0.461
LON-WEI-adc59df6-76
0.457
ERI-UCB-fbdd3ea1-17
0.457
LON-WEI-adc59df6-65
0.453
LON-WEI-adc59df6-100
0.453
LON-WEI-adc59df6-104
0.453
ERI-UCB-fbdd3ea1-16
0.452
LON-WEI-adc59df6-84
0.452
ERI-UCB-fbdd3ea1-15
0.451
LON-WEI-b8d98729-31
0.448
LON-WEI-adc59df6-83
0.448
ERI-UCB-fbdd3ea1-14
0.430
LON-WEI-adc59df6-88
0.430
LON-WEI-adc59df6-90
0.430
LON-WEI-adc59df6-102
0.426
LON-WEI-adc59df6-21
0.400
NIR-WEI-f9286bb6-3
0.400
LON-WEI-adc59df6-77
0.398
LON-WEI-adc59df6-3
0.398
RAL-MED-9a5eb9cb-14
0.396
LON-WEI-adc59df6-30
0.396
LON-WEI-adc59df6-31
0.394
RAL-MED-9a5eb9cb-10
0.389
NIM-NMI-8bb27a2b-4
0.388
LON-WEI-adc59df6-44
0.387
NIM-NMI-8bb27a2b-3
0.385
NIM-NMI-8bb27a2b-24
0.385
RAL-MED-9a5eb9cb-6
0.382
RAL-MED-9a5eb9cb-8
0.381
LON-WEI-adc59df6-14
0.379
LON-WEI-adc59df6-29
0.379
ALP-POS-c59291d4-6
0.379
ERI-UCB-fbdd3ea1-33
0.376
LON-WEI-b8d98729-35
0.376
LON-WEI-d1c9908a-7
0.374
ERI-UCB-fbdd3ea1-7
0.374
LON-WEI-adc59df6-36
0.374
NIM-NMI-8bb27a2b-11
0.374
ERI-UCB-fbdd3ea1-9
0.374
LON-WEI-adc59df6-34
0.373
LON-WEI-d1c9908a-12
0.373
LON-WEI-b8d98729-33
0.373
ALP-POS-88a7a97e-18
0.371
LON-WEI-adc59df6-17
0.371
LON-WEI-adc59df6-26
0.371
LON-WEI-adc59df6-35
0.371