Molecular Properties | |
SMILES: | C=CC(=O)N(c1ccc2cc[nH]c2c1)C(C(=O)NC(C)(C)C)c1cccnc1 |
MW: | 376.46 |
Fraction sp3: | 0.23 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 78.09 |
cLogP: | 3.7379 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Order Status | |
Shipped: | 2020-05-20 |
Long aliphatic chain
AAR-POS-d2a4d1df-1
LON-WEI-adc59df6-73
0.628
LON-WEI-adc59df6-80
0.619
JAN-GHE-d851b096-8
0.616
LON-WEI-adc59df6-104
0.615
LON-WEI-8f408cad-8
0.614
LON-WEI-8f408cad-9
0.614
LON-WEI-adc59df6-79
0.614
LON-WEI-adc59df6-103
0.607
LON-WEI-adc59df6-100
0.598
LON-WEI-b8d98729-32
0.598
LON-WEI-d1c9908a-1
0.598
LON-WEI-b8d98729-6
0.593
LON-WEI-b8d98729-7
0.593
RAL-MED-9a5eb9cb-12
0.593
ERI-UCB-fbdd3ea1-4
0.593
LON-WEI-adc59df6-70
0.593
LON-WEI-b8d98729-31
0.591
LON-WEI-adc59df6-82
0.591
LON-WEI-adc59df6-88
0.583
LON-WEI-adc59df6-95
0.578
LON-WEI-b8d98729-10
0.573
LON-WEI-adc59df6-91
0.567
LON-WEI-adc59df6-101
0.567
LON-WEI-adc59df6-102
0.561
LON-WEI-adc59df6-74
0.560
LON-WEI-adc59df6-84
0.548
LON-WEI-adc59df6-78
0.543
LON-WEI-adc59df6-85
0.543
LON-WEI-adc59df6-83
0.542
LON-WEI-adc59df6-87
0.537
LON-WEI-adc59df6-65
0.531
ERI-UCB-fbdd3ea1-13
0.516
LON-WEI-adc59df6-81
0.511
LON-WEI-b8d98729-23
0.511
ERI-UCB-fbdd3ea1-11
0.511
ERI-UCB-fbdd3ea1-15
0.500
ERI-UCB-fbdd3ea1-31
0.500
ERI-UCB-fbdd3ea1-30
0.495
ERI-UCB-fbdd3ea1-17
0.490
ERI-UCB-fbdd3ea1-12
0.490
ERI-UCB-fbdd3ea1-16
0.485
LON-WEI-adc59df6-3
0.483
LON-WEI-adc59df6-69
0.474
LON-WEI-adc59df6-97
0.474
LON-WEI-adc59df6-72
0.473
LON-WEI-adc59df6-44
0.468
LON-WEI-adc59df6-21
0.467
LON-WEI-adc59df6-35
0.464
LON-WEI-adc59df6-96
0.463
LON-WEI-adc59df6-30
0.462
LON-WEI-adc59df6-99
0.458
LON-WEI-adc59df6-14
0.458
ERI-UCB-fbdd3ea1-19
0.457
RAL-MED-9a5eb9cb-10
0.457
LON-WEI-adc59df6-41
0.455
ERI-UCB-fbdd3ea1-21
0.454
LON-WEI-adc59df6-64
0.450
LON-WEI-adc59df6-26
0.449
LON-WEI-adc59df6-86
0.449
ERI-UCB-fbdd3ea1-18
0.448
LON-WEI-adc59df6-93
0.448
ERI-UCB-fbdd3ea1-14
0.448
LON-WEI-adc59df6-71
0.444
LON-WEI-adc59df6-62
0.444
LON-WEI-adc59df6-63
0.444
RIT-AID-a497c99f-1
0.444
LON-WEI-adc59df6-77
0.443
LON-WEI-adc59df6-29
0.443
LON-WEI-adc59df6-75
0.443
ERI-UCB-fbdd3ea1-22
0.443
ALP-POS-c59291d4-6
0.443
LON-WEI-adc59df6-31
0.443
LON-WEI-adc59df6-8
0.440
LON-WEI-adc59df6-27
0.440
NIR-WEI-f9286bb6-2
0.438
LON-WEI-d1c9908a-7
0.436
LON-WEI-adc59df6-17
0.434
LON-WEI-adc59df6-42
0.434
NIM-NMI-8bb27a2b-19
0.434
NIM-NMI-8bb27a2b-24
0.434
NIM-NMI-8bb27a2b-17
0.433
LON-WEI-adc59df6-53
0.432
LON-WEI-adc59df6-39
0.431
RAL-MED-9a5eb9cb-15
0.430
LON-WEI-adc59df6-94
0.430
LON-WEI-adc59df6-28
0.430
RIT-AID-af4ac3d4-1
0.427
LON-WEI-adc59df6-1
0.427
LON-WEI-adc59df6-46
0.427
LON-WEI-adc59df6-60
0.427
LON-WEI-adc59df6-89
0.426
LON-WEI-adc59df6-67
0.426
ERI-UCB-fbdd3ea1-20
0.426
LON-WEI-8f408cad-10
0.425
LON-WEI-adc59df6-5
0.423
LON-WEI-adc59df6-23
0.423
LON-WEI-adc59df6-10
0.422
LON-WEI-adc59df6-36
0.422
LON-WEI-adc59df6-40
0.422
NIM-NMI-8bb27a2b-26
0.421