Molecular Properties | |
SMILES: | C=CC(=O)N(C1CN(C2CC2)C1)C(C(=O)NC(C)(C)C)c1cccnc1 |
MW: | 356.22 |
Fraction sp3: | 0.55 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 65.54 |
cLogP: | 1.9 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Long aliphatic chain
AAR-POS-d2a4d1df-1
ERI-UCB-fbdd3ea1-21
0.753
ERI-UCB-fbdd3ea1-19
0.747
ERI-UCB-fbdd3ea1-23
0.720
ERI-UCB-fbdd3ea1-18
0.684
ERI-UCB-fbdd3ea1-20
0.643
LON-WEI-adc59df6-86
0.639
LON-WEI-adc59df6-75
0.634
LON-WEI-adc59df6-97
0.634
LON-WEI-adc59df6-94
0.631
LON-WEI-adc59df6-67
0.624
LON-WEI-adc59df6-92
0.609
LON-WEI-adc59df6-89
0.605
LON-WEI-adc59df6-96
0.602
LON-WEI-adc59df6-98
0.584
LON-WEI-adc59df6-93
0.565
LON-WEI-adc59df6-64
0.562
LON-WEI-adc59df6-69
0.558
LON-WEI-adc59df6-99
0.558
LON-WEI-adc59df6-62
0.539
LON-WEI-adc59df6-63
0.539
LON-WEI-adc59df6-71
0.539
LON-WEI-adc59df6-85
0.527
LON-WEI-adc59df6-90
0.521
LON-WEI-adc59df6-72
0.489
LON-WEI-b8d98729-6
0.489
ERI-UCB-fbdd3ea1-4
0.489
RAL-MED-9a5eb9cb-12
0.489
LON-WEI-adc59df6-70
0.489
LON-WEI-8f408cad-8
0.488
LON-WEI-adc59df6-83
0.479
LON-WEI-adc59df6-95
0.478
LON-WEI-b8d98729-32
0.478
LON-WEI-d1c9908a-1
0.478
LON-WEI-adc59df6-80
0.477
LON-WEI-b8d98729-7
0.472
LON-WEI-adc59df6-101
0.467
ERI-UCB-fbdd3ea1-15
0.467
ERI-UCB-fbdd3ea1-30
0.463
LON-WEI-8f408cad-9
0.462
LON-WEI-adc59df6-79
0.462
JAN-GHE-d851b096-8
0.462
ERI-UCB-fbdd3ea1-11
0.462
LON-WEI-adc59df6-81
0.461
LON-WEI-adc59df6-76
0.458
RAL-MED-9a5eb9cb-8
0.457
ERI-UCB-fbdd3ea1-12
0.457
ERI-UCB-fbdd3ea1-17
0.457
LON-WEI-b8d98729-10
0.457
LON-WEI-adc59df6-73
0.457
LON-WEI-adc59df6-82
0.457
ERI-UCB-fbdd3ea1-31
0.454
ERI-UCB-fbdd3ea1-16
0.453
LON-WEI-adc59df6-91
0.452
ERI-UCB-fbdd3ea1-13
0.452
NIR-WEI-f9286bb6-2
0.451
LON-WEI-b8d98729-31
0.449
LON-WEI-adc59df6-74
0.447
LON-WEI-b8d98729-23
0.446
LON-WEI-adc59df6-68
0.443
LON-WEI-adc59df6-103
0.442
LON-WEI-adc59df6-77
0.441
LON-WEI-adc59df6-104
0.439
LON-WEI-adc59df6-84
0.438
LON-WEI-adc59df6-78
0.433
LON-WEI-adc59df6-66
0.430
LON-WEI-adc59df6-87
0.429
LON-WEI-adc59df6-65
0.424
LON-WEI-adc59df6-100
0.424
LON-WEI-adc59df6-88
0.417
LON-WEI-adc59df6-102
0.413
LON-WEI-adc59df6-44
0.404
ERI-UCB-fbdd3ea1-14
0.404
LON-WEI-adc59df6-14
0.396
LON-WEI-adc59df6-8
0.394
ALP-POS-88a7a97e-18
0.388
LON-WEI-adc59df6-35
0.388
NIM-NMI-8bb27a2b-3
0.388
LON-WEI-adc59df6-21
0.387
NIM-NMI-8bb27a2b-17
0.385
LON-WEI-adc59df6-3
0.385
LON-WEI-adc59df6-30
0.383
LON-WEI-adc59df6-31
0.381
RAL-MED-9a5eb9cb-10
0.376
ERI-UCB-fbdd3ea1-7
0.376
NIM-NMI-8bb27a2b-15
0.376
NIM-NMI-8bb27a2b-1
0.375
ERI-UCB-fbdd3ea1-5
0.375
LON-WEI-adc59df6-39
0.373
RAL-MED-9a5eb9cb-15
0.370
ERI-UCB-fbdd3ea1-6
0.369
RAL-MED-9a5eb9cb-14
0.368
ALP-POS-c59291d4-6
0.367
LON-WEI-adc59df6-27
0.366
ERI-UCB-fbdd3ea1-33
0.365
ERI-UCB-fbdd3ea1-8
0.364
LON-WEI-adc59df6-10
0.363
LON-WEI-adc59df6-22
0.362
LON-WEI-adc59df6-17
0.360
NIM-NMI-8bb27a2b-24
0.360
NIM-NMI-8bb27a2b-23
0.359