Molecular Properties | |
SMILES: | C=CC(=O)N(c1cc(C2CC2)on1)C(C(=O)NC(C)(C)C)c1cccnc1 |
MW: | 368.18 |
Fraction sp3: | 0.4 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 88.33 |
cLogP: | 3.12 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Long aliphatic chain
AAR-POS-d2a4d1df-1
LON-WEI-b8d98729-23
0.704
ERI-UCB-fbdd3ea1-31
0.698
NIM-NMI-8bb27a2b-3
0.584
ERI-UCB-fbdd3ea1-6
0.570
ERI-UCB-fbdd3ea1-7
0.565
NIM-NMI-8bb27a2b-1
0.542
ERI-UCB-fbdd3ea1-5
0.542
LON-WEI-d1c9908a-1
0.533
LON-WEI-adc59df6-83
0.531
LON-WEI-8f408cad-8
0.529
ERI-UCB-fbdd3ea1-8
0.525
LON-WEI-adc59df6-81
0.517
LON-WEI-adc59df6-80
0.517
JAN-GHE-d851b096-8
0.516
ERI-UCB-fbdd3ea1-11
0.516
LON-WEI-b8d98729-32
0.516
LON-WEI-8f408cad-9
0.516
LON-WEI-adc59df6-85
0.516
NIM-NMI-8bb27a2b-4
0.516
NIM-NMI-8bb27a2b-11
0.516
ERI-UCB-fbdd3ea1-9
0.516
ERI-UCB-fbdd3ea1-33
0.511
RAL-MED-9a5eb9cb-12
0.511
ERI-UCB-fbdd3ea1-4
0.511
LON-WEI-adc59df6-70
0.511
LON-WEI-b8d98729-6
0.511
LON-WEI-b8d98729-7
0.511
LON-WEI-adc59df6-73
0.511
LON-WEI-adc59df6-82
0.511
ERI-UCB-fbdd3ea1-17
0.511
NIM-NMI-8bb27a2b-2
0.510
NIM-NMI-8bb27a2b-6
0.510
LON-WEI-adc59df6-101
0.505
ERI-UCB-fbdd3ea1-13
0.505
ERI-UCB-fbdd3ea1-15
0.505
JAN-GHE-d851b096-7
0.505
ERI-UCB-fbdd3ea1-32
0.505
LON-WEI-adc59df6-79
0.500
LON-WEI-adc59df6-95
0.500
NIM-NMI-8bb27a2b-12
0.500
LON-WEI-adc59df6-74
0.500
NIM-NMI-8bb27a2b-5
0.500
LON-WEI-adc59df6-68
0.495
LON-WEI-adc59df6-87
0.495
LON-WEI-adc59df6-103
0.495
ERI-UCB-fbdd3ea1-12
0.495
LON-WEI-adc59df6-99
0.495
LON-WEI-b8d98729-10
0.495
ERI-UCB-fbdd3ea1-26
0.494
ERI-UCB-fbdd3ea1-24
0.494
NIM-NMI-8bb27a2b-10
0.490
ERI-UCB-fbdd3ea1-16
0.490
LON-WEI-adc59df6-84
0.490
LON-WEI-adc59df6-91
0.489
LON-WEI-adc59df6-78
0.485
LON-WEI-adc59df6-96
0.484
NIM-NMI-8bb27a2b-9
0.481
ERI-UCB-fbdd3ea1-10
0.481
NIM-NMI-8bb27a2b-13
0.480
LON-WEI-b8d98729-46
0.476
NIM-NMI-8bb27a2b-7
0.476
LON-WEI-adc59df6-65
0.475
LON-WEI-adc59df6-100
0.475
LON-WEI-adc59df6-104
0.475
ERI-UCB-fbdd3ea1-28
0.472
LON-WEI-babf2c61-10
0.471
LON-WEI-b8d98729-43
0.471
LON-WEI-b8d98729-31
0.470
ERI-UCB-fbdd3ea1-18
0.468
LON-WEI-adc59df6-93
0.468
NIM-NMI-8bb27a2b-8
0.467
LON-WEI-b8d98729-15
0.467
LON-WEI-adc59df6-88
0.466
LON-WEI-adc59df6-76
0.465
ERI-UCB-fbdd3ea1-22
0.463
ERI-UCB-fbdd3ea1-19
0.462
LON-WEI-adc59df6-72
0.462
NIM-NMI-8bb27a2b-14
0.462
LON-WEI-adc59df6-77
0.462
LON-WEI-adc59df6-102
0.462
ERI-UCB-fbdd3ea1-21
0.458
LON-WEI-adc59df6-86
0.454
ERI-UCB-fbdd3ea1-14
0.452
LON-WEI-adc59df6-66
0.451
LON-WEI-adc59df6-71
0.449
LON-WEI-adc59df6-62
0.449
LON-WEI-adc59df6-63
0.449
LON-WEI-adc59df6-94
0.449
LON-WEI-adc59df6-69
0.448
LON-WEI-adc59df6-75
0.448
LON-WEI-adc59df6-97
0.448
LON-WEI-adc59df6-67
0.444
LON-WEI-adc59df6-89
0.444
LON-WEI-adc59df6-44
0.442
NIR-WEI-f9286bb6-2
0.442
LON-WEI-adc59df6-64
0.440
LON-WEI-adc59df6-35
0.439
LON-WEI-adc59df6-92
0.436
LON-WEI-adc59df6-14
0.433
ERI-UCB-fbdd3ea1-29
0.433