Molecular Properties | |
SMILES: | C=CC(=O)N(c1cc(C(C)(C)C)nn1C)C(C(=O)NC(C)(C)C)c1cccnc1 |
MW: | 397.25 |
Fraction sp3: | 0.45 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 80.12 |
cLogP: | 3.29 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Long aliphatic chain
AAR-POS-d2a4d1df-1
ERI-UCB-fbdd3ea1-13
0.718
ERI-UCB-fbdd3ea1-12
0.700
ERI-UCB-fbdd3ea1-14
0.648
LON-WEI-8f408cad-8
0.588
LON-WEI-b8d98729-23
0.571
LON-WEI-b8d98729-6
0.566
LON-WEI-adc59df6-80
0.554
LON-WEI-adc59df6-81
0.554
JAN-GHE-d851b096-8
0.553
LON-WEI-adc59df6-74
0.552
LON-WEI-adc59df6-70
0.548
LON-WEI-b8d98729-7
0.548
RAL-MED-9a5eb9cb-12
0.548
ERI-UCB-fbdd3ea1-4
0.548
LON-WEI-adc59df6-73
0.547
ERI-UCB-fbdd3ea1-17
0.545
ERI-UCB-fbdd3ea1-15
0.540
LON-WEI-adc59df6-101
0.540
LON-WEI-adc59df6-84
0.539
LON-WEI-adc59df6-104
0.538
LON-WEI-adc59df6-65
0.538
LON-WEI-d1c9908a-1
0.535
LON-WEI-b8d98729-32
0.535
LON-WEI-8f408cad-9
0.534
LON-WEI-adc59df6-95
0.534
LON-WEI-adc59df6-79
0.534
LON-WEI-adc59df6-85
0.533
LON-WEI-adc59df6-82
0.529
LON-WEI-b8d98729-10
0.529
LON-WEI-adc59df6-103
0.528
LON-WEI-adc59df6-91
0.523
ERI-UCB-fbdd3ea1-16
0.522
ERI-UCB-fbdd3ea1-30
0.516
LON-WEI-adc59df6-68
0.511
ERI-UCB-fbdd3ea1-31
0.505
LON-WEI-adc59df6-100
0.505
LON-WEI-b8d98729-31
0.500
LON-WEI-adc59df6-78
0.500
LON-WEI-adc59df6-87
0.495
LON-WEI-adc59df6-77
0.490
LON-WEI-adc59df6-83
0.484
LON-WEI-adc59df6-88
0.480
ERI-UCB-fbdd3ea1-19
0.477
LON-WEI-adc59df6-102
0.475
NIR-WEI-f9286bb6-2
0.472
LON-WEI-adc59df6-3
0.471
ERI-UCB-fbdd3ea1-18
0.467
ERI-UCB-fbdd3ea1-22
0.462
LON-WEI-adc59df6-97
0.462
ERI-UCB-fbdd3ea1-33
0.461
LON-WEI-adc59df6-72
0.461
ERI-UCB-fbdd3ea1-21
0.457
LON-WEI-adc59df6-21
0.455
LON-WEI-adc59df6-96
0.451
LON-WEI-adc59df6-93
0.451
LON-WEI-adc59df6-30
0.449
LON-WEI-adc59df6-94
0.447
ALP-POS-c59291d4-6
0.446
LON-WEI-adc59df6-99
0.446
LON-WEI-adc59df6-29
0.446
LON-WEI-adc59df6-69
0.446
LON-WEI-adc59df6-75
0.446
ERI-UCB-fbdd3ea1-20
0.442
LON-WEI-adc59df6-44
0.440
ERI-UCB-fbdd3ea1-9
0.438
ALP-POS-88a7a97e-18
0.436
LON-WEI-adc59df6-35
0.436
LON-WEI-adc59df6-86
0.436
NIM-NMI-8bb27a2b-3
0.436
LON-WEI-adc59df6-22
0.434
LON-WEI-adc59df6-76
0.433
DAR-DIA-2b784ede-51
0.433
LON-WEI-adc59df6-71
0.432
LON-WEI-adc59df6-62
0.432
LON-WEI-adc59df6-63
0.432
LON-WEI-adc59df6-31
0.430
LON-WEI-adc59df6-14
0.430
LON-WEI-b8d98729-21
0.430
ERI-UCB-fbdd3ea1-32
0.430
ERI-UCB-fbdd3ea1-6
0.429
ERI-UCB-fbdd3ea1-23
0.429
DAR-DIA-2b784ede-52
0.427
LON-WEI-adc59df6-41
0.427
LON-WEI-adc59df6-89
0.427
LON-WEI-adc59df6-67
0.427
RAL-MED-9a5eb9cb-10
0.427
DAR-DIA-2b784ede-49
0.425
NIM-NMI-8bb27a2b-5
0.424
LON-WEI-b8d98729-20
0.423
ERI-UCB-fbdd3ea1-7
0.423
NIM-NMI-8bb27a2b-4
0.423
LON-WEI-adc59df6-64
0.423
NIM-NMI-8bb27a2b-11
0.423
ERI-UCB-fbdd3ea1-8
0.422
LON-WEI-adc59df6-17
0.421
LON-WEI-adc59df6-26
0.421
LON-WEI-adc59df6-42
0.421
LON-WEI-adc59df6-66
0.420
LON-WEI-adc59df6-15
0.420
DAR-DIA-2b784ede-50
0.419