Molecular Properties | |
SMILES: | C=CC(=O)N(c1ccc(C2CCOC2)cc1)C(C(=O)NC(C)(C)C)c1cccnc1 |
MW: | 407.514 |
Fraction sp3: | 0.38 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 71.53 |
cLogP: | 3.7605 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Order Status | |
Shipped: | 2020-05-20 |
Long aliphatic chain
AAR-POS-d2a4d1df-1
LON-WEI-8f408cad-8
0.659
LON-WEI-b8d98729-6
0.655
LON-WEI-adc59df6-80
0.643
LON-WEI-d1c9908a-1
0.640
LON-WEI-adc59df6-95
0.636
ERI-UCB-fbdd3ea1-4
0.635
RAL-MED-9a5eb9cb-12
0.635
LON-WEI-b8d98729-7
0.635
LON-WEI-adc59df6-82
0.614
LON-WEI-b8d98729-10
0.614
LON-WEI-adc59df6-91
0.607
LON-WEI-adc59df6-87
0.591
LON-WEI-adc59df6-78
0.581
LON-WEI-adc59df6-85
0.581
LON-WEI-b8d98729-32
0.567
LON-WEI-8f408cad-9
0.565
LON-WEI-adc59df6-70
0.562
LON-WEI-adc59df6-19
0.561
LON-WEI-adc59df6-73
0.560
LON-WEI-adc59df6-39
0.558
JAN-GHE-d851b096-8
0.549
LON-WEI-adc59df6-79
0.548
LON-WEI-adc59df6-68
0.542
LON-WEI-adc59df6-44
0.538
LON-WEI-adc59df6-101
0.538
LON-WEI-adc59df6-74
0.532
LON-WEI-adc59df6-35
0.532
ERI-UCB-fbdd3ea1-30
0.531
LON-WEI-adc59df6-14
0.527
LON-WEI-adc59df6-103
0.526
LON-WEI-adc59df6-88
0.525
LON-WEI-adc59df6-3
0.523
LON-WEI-adc59df6-84
0.521
LON-WEI-adc59df6-104
0.520
LON-WEI-b8d98729-31
0.515
LON-WEI-adc59df6-21
0.505
LON-WEI-adc59df6-8
0.505
LON-WEI-adc59df6-65
0.505
ERI-UCB-fbdd3ea1-31
0.505
LON-WEI-adc59df6-100
0.505
LON-WEI-adc59df6-102
0.505
LON-WEI-adc59df6-32
0.500
LON-WEI-adc59df6-81
0.500
LON-WEI-adc59df6-96
0.500
LON-WEI-adc59df6-30
0.500
LON-WEI-b8d98729-23
0.500
NIM-NMI-8bb27a2b-17
0.500
RAL-MED-9a5eb9cb-15
0.495
RAL-MED-9a5eb9cb-10
0.495
ERI-UCB-fbdd3ea1-11
0.484
ERI-UCB-fbdd3ea1-18
0.484
RIT-AID-a497c99f-1
0.483
LON-WEI-adc59df6-25
0.481
LON-WEI-adc59df6-28
0.480
LON-WEI-adc59df6-29
0.479
LON-WEI-adc59df6-31
0.479
ERI-UCB-fbdd3ea1-22
0.479
ERI-UCB-fbdd3ea1-19
0.479
LON-WEI-adc59df6-1
0.475
RIT-AID-af4ac3d4-1
0.475
LON-WEI-adc59df6-41
0.475
LON-WEI-adc59df6-89
0.475
ERI-UCB-fbdd3ea1-21
0.474
ERI-UCB-fbdd3ea1-15
0.474
ERI-UCB-fbdd3ea1-13
0.474
LON-WEI-adc59df6-40
0.470
LON-WEI-d1c9908a-7
0.470
NIM-NMI-8bb27a2b-15
0.470
LON-WEI-adc59df6-36
0.470
LON-WEI-adc59df6-17
0.469
LON-WEI-adc59df6-42
0.469
LON-WEI-adc59df6-86
0.469
NIM-NMI-8bb27a2b-24
0.469
LON-WEI-adc59df6-26
0.469
LON-WEI-adc59df6-93
0.469
LON-WEI-adc59df6-6
0.467
LON-WEI-adc59df6-33
0.466
ERI-UCB-fbdd3ea1-12
0.465
ERI-UCB-fbdd3ea1-17
0.465
LON-WEI-adc59df6-94
0.465
LON-WEI-adc59df6-75
0.464
LON-WEI-adc59df6-97
0.464
LON-WEI-adc59df6-4
0.462
LON-WEI-adc59df6-20
0.461
LON-WEI-adc59df6-98
0.461
LON-WEI-d1c9908a-11
0.461
LON-WEI-adc59df6-27
0.460
LON-WEI-adc59df6-67
0.460
ERI-UCB-fbdd3ea1-16
0.460
LON-WEI-d1c9908a-3
0.457
LON-WEI-adc59df6-23
0.456
LON-WEI-b8d98729-35
0.456
LON-WEI-adc59df6-10
0.455
NIM-NMI-8bb27a2b-19
0.455
LON-WEI-adc59df6-12
0.452
LON-WEI-adc59df6-22
0.452
LON-WEI-d1c9908a-5
0.452
LON-WEI-adc59df6-76
0.451
LON-WEI-adc59df6-92
0.451
NIM-NMI-8bb27a2b-23
0.451