Molecular Properties | |
SMILES: | C=CC(=O)N(c1cc(C(C)(C)C)nn1CC)C(C(=O)NC(C)(C)C)c1cccnc1 |
MW: | 411.26 |
Fraction sp3: | 0.48 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 80.12 |
cLogP: | 3.77 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Long aliphatic chain
AAR-POS-d2a4d1df-1
ERI-UCB-fbdd3ea1-14
0.733
ERI-UCB-fbdd3ea1-11
0.700
ERI-UCB-fbdd3ea1-13
0.683
LON-WEI-8f408cad-8
0.560
LON-WEI-adc59df6-73
0.557
LON-WEI-b8d98729-23
0.545
JAN-GHE-d851b096-8
0.545
LON-WEI-b8d98729-6
0.540
ERI-UCB-fbdd3ea1-16
0.533
LON-WEI-adc59df6-80
0.529
LON-WEI-adc59df6-81
0.529
LON-WEI-adc59df6-74
0.527
LON-WEI-adc59df6-70
0.523
LON-WEI-b8d98729-7
0.523
RAL-MED-9a5eb9cb-12
0.523
ERI-UCB-fbdd3ea1-4
0.523
LON-WEI-adc59df6-101
0.516
LON-WEI-adc59df6-91
0.516
ERI-UCB-fbdd3ea1-15
0.516
LON-WEI-adc59df6-65
0.516
LON-WEI-b8d98729-32
0.511
LON-WEI-d1c9908a-1
0.511
LON-WEI-8f408cad-9
0.511
LON-WEI-adc59df6-95
0.511
LON-WEI-adc59df6-79
0.511
LON-WEI-adc59df6-82
0.505
LON-WEI-b8d98729-10
0.505
ERI-UCB-fbdd3ea1-17
0.505
LON-WEI-adc59df6-103
0.505
LON-WEI-adc59df6-84
0.500
LON-WEI-adc59df6-104
0.500
ERI-UCB-fbdd3ea1-31
0.500
LON-WEI-adc59df6-78
0.495
LON-WEI-adc59df6-85
0.495
ERI-UCB-fbdd3ea1-30
0.495
LON-WEI-adc59df6-68
0.490
LON-WEI-adc59df6-87
0.490
LON-WEI-adc59df6-72
0.489
LON-WEI-adc59df6-100
0.485
NIR-WEI-f9286bb6-2
0.484
LON-WEI-b8d98729-31
0.480
ERI-UCB-fbdd3ea1-19
0.473
LON-WEI-adc59df6-77
0.471
LON-WEI-adc59df6-83
0.465
LON-WEI-b8d98729-20
0.462
LON-WEI-adc59df6-30
0.462
LON-WEI-adc59df6-88
0.461
LON-WEI-adc59df6-31
0.457
LON-WEI-adc59df6-29
0.457
LON-WEI-adc59df6-75
0.457
ERI-UCB-fbdd3ea1-22
0.457
LON-WEI-adc59df6-102
0.456
LON-WEI-adc59df6-3
0.449
ERI-UCB-fbdd3ea1-9
0.449
LON-WEI-adc59df6-17
0.448
ERI-UCB-fbdd3ea1-18
0.447
LON-WEI-adc59df6-66
0.446
NIM-NMI-8bb27a2b-2
0.444
LON-WEI-adc59df6-69
0.442
LON-WEI-adc59df6-97
0.442
ALP-POS-c59291d4-6
0.442
ERI-UCB-fbdd3ea1-33
0.441
ERI-UCB-fbdd3ea1-20
0.439
DAR-DIA-2b784ede-52
0.438
ERI-UCB-fbdd3ea1-21
0.438
LON-WEI-adc59df6-44
0.436
NIM-NMI-8bb27a2b-12
0.436
LON-WEI-adc59df6-21
0.435
NIM-NMI-8bb27a2b-4
0.434
LON-WEI-adc59df6-10
0.434
LON-WEI-adc59df6-26
0.433
LON-WEI-adc59df6-35
0.433
NIM-NMI-8bb27a2b-3
0.433
ALP-POS-88a7a97e-18
0.433
LON-WEI-adc59df6-96
0.432
LON-WEI-adc59df6-93
0.432
LON-WEI-adc59df6-22
0.431
LON-WEI-d1c9908a-10
0.431
LON-WEI-adc59df6-76
0.430
DAR-DIA-2b784ede-48
0.430
DAR-DIA-2b784ede-50
0.430
LON-WEI-b8d98729-46
0.429
LON-WEI-b8d98729-21
0.427
LON-WEI-adc59df6-99
0.427
LON-WEI-adc59df6-14
0.427
ERI-UCB-fbdd3ea1-6
0.426
LON-WEI-adc59df6-27
0.424
DAR-DIA-2b784ede-49
0.422
LON-WEI-adc59df6-2
0.422
NIM-NMI-8bb27a2b-5
0.422
ERI-UCB-fbdd3ea1-10
0.421
ERI-UCB-fbdd3ea1-7
0.420
NIM-NMI-8bb27a2b-11
0.420
LON-WEI-adc59df6-86
0.418
DAR-DIA-2b784ede-51
0.417
LON-WEI-adc59df6-39
0.416
DAR-DIA-2b784ede-42
0.414
LON-WEI-adc59df6-71
0.414
LON-WEI-adc59df6-94
0.414
LON-WEI-adc59df6-28
0.414