Molecular Properties | |
SMILES: | C=CC(=O)N(C1CC2(C1)CN(C(C)(C)C)C2)C(C(=O)NC(C)(C)C)c1cccnc1 |
MW: | 412.28 |
Fraction sp3: | 0.62 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 65.54 |
cLogP: | 3.31 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Long aliphatic chain
AAR-POS-d2a4d1df-1
ERI-UCB-fbdd3ea1-23
0.768
ERI-UCB-fbdd3ea1-19
0.709
ERI-UCB-fbdd3ea1-18
0.691
LON-WEI-adc59df6-92
0.655
LON-WEI-adc59df6-89
0.651
ERI-UCB-fbdd3ea1-22
0.643
LON-WEI-adc59df6-75
0.624
LON-WEI-adc59df6-94
0.621
ERI-UCB-fbdd3ea1-21
0.616
LON-WEI-adc59df6-97
0.605
LON-WEI-adc59df6-86
0.591
LON-WEI-adc59df6-67
0.578
LON-WEI-adc59df6-99
0.568
LON-WEI-adc59df6-98
0.559
LON-WEI-adc59df6-93
0.557
LON-WEI-adc59df6-69
0.551
LON-WEI-adc59df6-96
0.539
LON-WEI-adc59df6-64
0.521
LON-WEI-adc59df6-62
0.516
LON-WEI-adc59df6-71
0.516
LON-WEI-adc59df6-63
0.516
LON-WEI-adc59df6-72
0.484
LON-WEI-d1c9908a-1
0.473
LON-WEI-adc59df6-90
0.471
LON-WEI-adc59df6-76
0.469
ERI-UCB-fbdd3ea1-4
0.467
RAL-MED-9a5eb9cb-12
0.467
LON-WEI-8f408cad-8
0.467
LON-WEI-adc59df6-85
0.459
LON-WEI-adc59df6-95
0.458
LON-WEI-adc59df6-80
0.457
LON-WEI-adc59df6-82
0.453
LON-WEI-adc59df6-73
0.453
LON-WEI-b8d98729-6
0.452
LON-WEI-b8d98729-7
0.452
LON-WEI-adc59df6-70
0.452
ERI-UCB-fbdd3ea1-16
0.449
LON-WEI-adc59df6-91
0.448
ERI-UCB-fbdd3ea1-13
0.448
NIR-WEI-f9286bb6-2
0.447
LON-WEI-adc59df6-83
0.446
LON-WEI-adc59df6-78
0.444
LON-WEI-adc59df6-79
0.443
LON-WEI-b8d98729-32
0.442
JAN-GHE-d851b096-8
0.442
ERI-UCB-fbdd3ea1-11
0.442
LON-WEI-adc59df6-81
0.441
RAL-MED-9a5eb9cb-8
0.439
ERI-UCB-fbdd3ea1-12
0.439
LON-WEI-b8d98729-10
0.438
LON-WEI-adc59df6-65
0.436
LON-WEI-adc59df6-104
0.436
ERI-UCB-fbdd3ea1-31
0.436
LON-WEI-adc59df6-101
0.433
ERI-UCB-fbdd3ea1-15
0.433
ERI-UCB-fbdd3ea1-30
0.430
LON-WEI-8f408cad-9
0.429
LON-WEI-adc59df6-74
0.429
LON-WEI-b8d98729-23
0.427
LON-WEI-adc59df6-87
0.426
LON-WEI-adc59df6-68
0.426
ERI-UCB-fbdd3ea1-17
0.424
LON-WEI-adc59df6-103
0.424
LON-WEI-adc59df6-100
0.422
LON-WEI-adc59df6-84
0.420
LON-WEI-adc59df6-88
0.415
LON-WEI-adc59df6-66
0.413
LON-WEI-adc59df6-102
0.411
LON-WEI-b8d98729-31
0.404
ERI-UCB-fbdd3ea1-14
0.402
LON-WEI-adc59df6-77
0.398
LON-WEI-adc59df6-44
0.374
LON-WEI-adc59df6-21
0.371
DAR-DIA-2b784ede-44
0.371
LON-WEI-adc59df6-3
0.368
RAL-MED-9a5eb9cb-14
0.367
LON-WEI-adc59df6-30
0.367
LON-WEI-adc59df6-14
0.366
LON-WEI-adc59df6-31
0.366
LON-WEI-adc59df6-8
0.365
LON-WEI-adc59df6-27
0.365
LON-WEI-adc59df6-10
0.362
LON-WEI-adc59df6-40
0.362
RAL-MED-9a5eb9cb-10
0.361
ALP-POS-88a7a97e-18
0.359
LON-WEI-adc59df6-35
0.359
NIM-NMI-8bb27a2b-3
0.359
LON-WEI-adc59df6-17
0.359
NIR-WEI-f9286bb6-3
0.357
NIM-NMI-8bb27a2b-17
0.356
NIM-NMI-8bb27a2b-16
0.356
LON-WEI-adc59df6-28
0.356
RAL-MED-9a5eb9cb-6
0.354
LON-WEI-adc59df6-29
0.353
ALP-POS-c59291d4-6
0.353
LON-WEI-adc59df6-23
0.352
ERI-UCB-fbdd3ea1-33
0.350
LON-WEI-adc59df6-36
0.349
NIM-NMI-8bb27a2b-15
0.349
ERI-UCB-fbdd3ea1-7
0.349