Molecular Properties | |
SMILES: | C=CC(=O)N(c1cc(C(C)(C)C)nn1C(C)C)C(C(=O)NC(C)(C)C)c1cccnc1 |
MW: | 425.28 |
Fraction sp3: | 0.5 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 80.12 |
cLogP: | 4.33 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Long aliphatic chain
AAR-POS-d2a4d1df-1
ERI-UCB-fbdd3ea1-11
0.718
ERI-UCB-fbdd3ea1-12
0.683
ERI-UCB-fbdd3ea1-14
0.633
LON-WEI-b8d98729-23
0.576
LON-WEI-8f408cad-8
0.573
LON-WEI-adc59df6-74
0.557
LON-WEI-b8d98729-6
0.553
RAL-MED-9a5eb9cb-12
0.553
ERI-UCB-fbdd3ea1-4
0.553
LON-WEI-adc59df6-81
0.541
LON-WEI-adc59df6-80
0.541
LON-WEI-b8d98729-32
0.540
JAN-GHE-d851b096-8
0.540
LON-WEI-adc59df6-95
0.539
LON-WEI-b8d98729-7
0.535
LON-WEI-adc59df6-70
0.535
LON-WEI-b8d98729-10
0.534
LON-WEI-adc59df6-73
0.534
ERI-UCB-fbdd3ea1-17
0.533
LON-WEI-adc59df6-103
0.533
ERI-UCB-fbdd3ea1-15
0.528
LON-WEI-adc59df6-101
0.528
LON-WEI-adc59df6-104
0.527
LON-WEI-adc59df6-65
0.527
LON-WEI-d1c9908a-1
0.523
LON-WEI-8f408cad-9
0.522
LON-WEI-adc59df6-79
0.522
LON-WEI-adc59df6-82
0.517
LON-WEI-adc59df6-68
0.516
LON-WEI-adc59df6-91
0.511
ERI-UCB-fbdd3ea1-16
0.511
LON-WEI-adc59df6-84
0.511
LON-WEI-adc59df6-78
0.505
LON-WEI-adc59df6-85
0.505
ERI-UCB-fbdd3ea1-30
0.505
LON-WEI-adc59df6-77
0.495
LON-WEI-adc59df6-100
0.495
ERI-UCB-fbdd3ea1-31
0.495
LON-WEI-b8d98729-31
0.490
LON-WEI-adc59df6-88
0.485
LON-WEI-adc59df6-87
0.484
LON-WEI-adc59df6-72
0.483
LON-WEI-adc59df6-3
0.477
LON-WEI-adc59df6-83
0.474
ERI-UCB-fbdd3ea1-19
0.467
ERI-UCB-fbdd3ea1-33
0.467
LON-WEI-adc59df6-102
0.465
NIR-WEI-f9286bb6-2
0.462
LON-WEI-adc59df6-21
0.461
ERI-UCB-fbdd3ea1-18
0.457
ERI-UCB-fbdd3ea1-22
0.452
RAL-MED-9a5eb9cb-10
0.449
LON-WEI-adc59df6-41
0.448
ERI-UCB-fbdd3ea1-20
0.448
ERI-UCB-fbdd3ea1-21
0.447
ERI-UCB-fbdd3ea1-9
0.443
NIM-NMI-8bb27a2b-4
0.443
LON-WEI-adc59df6-64
0.443
LON-WEI-adc59df6-86
0.442
NIM-NMI-8bb27a2b-3
0.442
LON-WEI-adc59df6-96
0.441
LON-WEI-adc59df6-93
0.441
LON-WEI-adc59df6-30
0.440
LON-WEI-adc59df6-99
0.436
LON-WEI-adc59df6-29
0.436
LON-WEI-adc59df6-69
0.436
LON-WEI-adc59df6-75
0.436
LON-WEI-adc59df6-97
0.436
ALP-POS-c59291d4-6
0.436
LON-WEI-adc59df6-31
0.436
LON-WEI-b8d98729-21
0.436
ERI-UCB-fbdd3ea1-32
0.436
ERI-UCB-fbdd3ea1-6
0.434
ERI-UCB-fbdd3ea1-23
0.434
LON-WEI-adc59df6-67
0.433
LON-WEI-adc59df6-44
0.430
NIM-NMI-8bb27a2b-5
0.430
ERI-UCB-fbdd3ea1-7
0.429
NIM-NMI-8bb27a2b-11
0.429
LON-WEI-adc59df6-26
0.427
LON-WEI-adc59df6-35
0.427
ALP-POS-88a7a97e-18
0.427
LON-WEI-adc59df6-12
0.426
LON-WEI-adc59df6-66
0.426
DAR-DIA-2b784ede-51
0.425
NIM-NMI-8bb27a2b-2
0.424
LON-WEI-adc59df6-76
0.424
NIM-NMI-8bb27a2b-6
0.424
LON-WEI-adc59df6-71
0.423
LON-WEI-adc59df6-94
0.423
LON-WEI-adc59df6-28
0.423
LON-WEI-adc59df6-62
0.423
LON-WEI-adc59df6-63
0.423
LON-WEI-adc59df6-14
0.421
LON-WEI-adc59df6-46
0.420
LON-WEI-adc59df6-89
0.418
LON-WEI-adc59df6-27
0.418
ERI-UCB-fbdd3ea1-26
0.418
DAR-DIA-2b784ede-49
0.417
LON-WEI-adc59df6-5
0.416