Molecular Properties | |
SMILES: | C=CC(=O)N(C1CN(C(C)(C)C)C1)C(C(=O)NC(C)(C)C)c1cccnc1 |
MW: | 372.25 |
Fraction sp3: | 0.57 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 65.54 |
cLogP: | 2.53 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Long aliphatic chain
AAR-POS-d2a4d1df-1
ERI-UCB-fbdd3ea1-18
0.781
ERI-UCB-fbdd3ea1-22
0.747
ERI-UCB-fbdd3ea1-20
0.709
ERI-UCB-fbdd3ea1-21
0.671
LON-WEI-adc59df6-75
0.658
LON-WEI-adc59df6-97
0.658
LON-WEI-adc59df6-89
0.646
LON-WEI-adc59df6-86
0.642
LON-WEI-adc59df6-94
0.634
LON-WEI-adc59df6-92
0.631
LON-WEI-adc59df6-67
0.627
ERI-UCB-fbdd3ea1-23
0.624
LON-WEI-adc59df6-98
0.605
LON-WEI-adc59df6-96
0.585
LON-WEI-adc59df6-93
0.585
LON-WEI-adc59df6-99
0.578
LON-WEI-adc59df6-69
0.578
LON-WEI-adc59df6-64
0.563
LON-WEI-adc59df6-71
0.558
LON-WEI-adc59df6-62
0.558
LON-WEI-adc59df6-63
0.558
LON-WEI-adc59df6-90
0.521
LON-WEI-b8d98729-32
0.512
LON-WEI-8f408cad-8
0.506
LON-WEI-b8d98729-7
0.506
LON-WEI-adc59df6-72
0.506
RAL-MED-9a5eb9cb-12
0.506
ERI-UCB-fbdd3ea1-4
0.506
LON-WEI-adc59df6-85
0.495
LON-WEI-adc59df6-95
0.494
LON-WEI-d1c9908a-1
0.494
LON-WEI-adc59df6-80
0.494
LON-WEI-adc59df6-70
0.488
LON-WEI-b8d98729-6
0.488
LON-WEI-adc59df6-83
0.479
LON-WEI-adc59df6-79
0.478
ERI-UCB-fbdd3ea1-11
0.477
JAN-GHE-d851b096-8
0.477
LON-WEI-adc59df6-81
0.477
ERI-UCB-fbdd3ea1-12
0.473
RAL-MED-9a5eb9cb-8
0.473
LON-WEI-adc59df6-82
0.472
LON-WEI-b8d98729-10
0.472
LON-WEI-adc59df6-73
0.472
ERI-UCB-fbdd3ea1-15
0.467
LON-WEI-adc59df6-101
0.467
ERI-UCB-fbdd3ea1-13
0.467
LON-WEI-adc59df6-91
0.467
NIR-WEI-f9286bb6-2
0.466
ERI-UCB-fbdd3ea1-30
0.462
LON-WEI-8f408cad-9
0.462
LON-WEI-adc59df6-74
0.462
LON-WEI-b8d98729-23
0.461
LON-WEI-adc59df6-68
0.457
LON-WEI-adc59df6-76
0.457
ERI-UCB-fbdd3ea1-17
0.457
LON-WEI-adc59df6-103
0.457
ERI-UCB-fbdd3ea1-31
0.453
LON-WEI-adc59df6-104
0.453
ERI-UCB-fbdd3ea1-16
0.452
LON-WEI-adc59df6-84
0.452
LON-WEI-b8d98729-31
0.448
LON-WEI-adc59df6-78
0.447
LON-WEI-adc59df6-88
0.444
LON-WEI-adc59df6-66
0.443
LON-WEI-adc59df6-87
0.442
LON-WEI-adc59df6-100
0.438
LON-WEI-adc59df6-65
0.438
ERI-UCB-fbdd3ea1-14
0.430
LON-WEI-adc59df6-102
0.426
LON-WEI-adc59df6-77
0.412
LON-WEI-adc59df6-44
0.402
LON-WEI-adc59df6-21
0.400
LON-WEI-adc59df6-35
0.400
LON-WEI-adc59df6-3
0.398
LON-WEI-adc59df6-30
0.396
RAL-MED-9a5eb9cb-14
0.396
LON-WEI-adc59df6-14
0.394
LON-WEI-adc59df6-27
0.392
LON-WEI-adc59df6-8
0.392
RAL-MED-9a5eb9cb-10
0.389
LON-WEI-adc59df6-10
0.388
LON-WEI-adc59df6-22
0.386
ALP-POS-88a7a97e-18
0.385
NIM-NMI-8bb27a2b-24
0.385
NIM-NMI-8bb27a2b-3
0.385
NIM-NMI-8bb27a2b-17
0.383
NIM-NMI-8bb27a2b-16
0.381
RAL-MED-9a5eb9cb-15
0.381
ERI-UCB-fbdd3ea1-6
0.380
ALP-POS-c59291d4-6
0.379
LON-WEI-adc59df6-31
0.379
LON-WEI-adc59df6-29
0.379
ERI-UCB-fbdd3ea1-33
0.376
LON-WEI-adc59df6-25
0.375
NIM-NMI-8bb27a2b-15
0.374
ERI-UCB-fbdd3ea1-7
0.374
NIM-NMI-8bb27a2b-4
0.374
NIM-NMI-8bb27a2b-1
0.373
ERI-UCB-fbdd3ea1-5
0.373