Molecular Properties | |
SMILES: | C=CC(=O)N(c1cc(CC2CC2)on1)C(C(=O)NC(C)(C)C)c1cccnc1 |
MW: | 382.2 |
Fraction sp3: | 0.43 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 88.33 |
cLogP: | 3.2 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Long aliphatic chain
AAR-POS-d2a4d1df-1
ERI-UCB-fbdd3ea1-30
0.698
LON-WEI-b8d98729-23
0.687
ERI-UCB-fbdd3ea1-6
0.574
NIM-NMI-8bb27a2b-3
0.571
ERI-UCB-fbdd3ea1-7
0.570
ERI-UCB-fbdd3ea1-5
0.546
NIM-NMI-8bb27a2b-1
0.546
LON-WEI-adc59df6-73
0.533
ERI-UCB-fbdd3ea1-8
0.530
LON-WEI-d1c9908a-1
0.522
LON-WEI-adc59df6-79
0.521
NIM-NMI-8bb27a2b-4
0.521
NIM-NMI-8bb27a2b-11
0.521
ERI-UCB-fbdd3ea1-9
0.521
LON-WEI-8f408cad-8
0.517
LON-WEI-adc59df6-82
0.516
NIM-NMI-8bb27a2b-2
0.515
JAN-GHE-d851b096-7
0.510
LON-WEI-adc59df6-80
0.505
LON-WEI-adc59df6-81
0.505
ERI-UCB-fbdd3ea1-11
0.505
JAN-GHE-d851b096-8
0.505
LON-WEI-adc59df6-95
0.505
LON-WEI-adc59df6-85
0.505
NIM-NMI-8bb27a2b-5
0.505
NIM-NMI-8bb27a2b-12
0.505
LON-WEI-adc59df6-83
0.505
RAL-MED-9a5eb9cb-12
0.500
ERI-UCB-fbdd3ea1-4
0.500
LON-WEI-adc59df6-68
0.500
NIM-NMI-8bb27a2b-6
0.500
ERI-UCB-fbdd3ea1-33
0.500
ERI-UCB-fbdd3ea1-10
0.500
LON-WEI-b8d98729-7
0.500
ERI-UCB-fbdd3ea1-12
0.500
LON-WEI-adc59df6-70
0.500
LON-WEI-b8d98729-6
0.500
ERI-UCB-fbdd3ea1-32
0.495
NIM-NMI-8bb27a2b-10
0.495
ERI-UCB-fbdd3ea1-16
0.495
LON-WEI-adc59df6-91
0.495
ERI-UCB-fbdd3ea1-13
0.495
ERI-UCB-fbdd3ea1-15
0.495
LON-WEI-adc59df6-101
0.495
LON-WEI-babf2c61-10
0.490
LON-WEI-adc59df6-78
0.490
LON-WEI-8f408cad-9
0.490
LON-WEI-adc59df6-74
0.490
LON-WEI-b8d98729-32
0.489
LON-WEI-b8d98729-15
0.486
NIM-NMI-8bb27a2b-13
0.485
LON-WEI-adc59df6-87
0.485
ERI-UCB-fbdd3ea1-17
0.485
LON-WEI-adc59df6-103
0.485
LON-WEI-b8d98729-10
0.484
ERI-UCB-fbdd3ea1-26
0.484
ERI-UCB-fbdd3ea1-24
0.484
LON-WEI-adc59df6-102
0.481
LON-WEI-b8d98729-46
0.481
LON-WEI-adc59df6-100
0.480
LON-WEI-adc59df6-84
0.480
LON-WEI-adc59df6-96
0.474
LON-WEI-adc59df6-76
0.470
LON-WEI-adc59df6-94
0.469
LON-WEI-adc59df6-75
0.469
LON-WEI-adc59df6-99
0.469
LON-WEI-adc59df6-72
0.468
NIM-NMI-8bb27a2b-14
0.467
LON-WEI-adc59df6-77
0.467
NIM-NMI-8bb27a2b-7
0.467
LON-WEI-adc59df6-104
0.465
LON-WEI-adc59df6-65
0.465
LON-WEI-adc59df6-89
0.465
ERI-UCB-fbdd3ea1-28
0.463
LON-WEI-b8d98729-43
0.462
LON-WEI-b8d98729-31
0.461
LON-WEI-adc59df6-86
0.459
LON-WEI-adc59df6-93
0.458
ERI-UCB-fbdd3ea1-18
0.458
NIM-NMI-8bb27a2b-8
0.458
NIM-NMI-8bb27a2b-9
0.458
LON-WEI-adc59df6-88
0.457
ERI-UCB-fbdd3ea1-14
0.457
LON-WEI-adc59df6-92
0.455
LON-WEI-adc59df6-62
0.455
LON-WEI-adc59df6-63
0.455
LON-WEI-adc59df6-71
0.455
LON-WEI-adc59df6-69
0.454
LON-WEI-adc59df6-97
0.454
ERI-UCB-fbdd3ea1-22
0.454
ERI-UCB-fbdd3ea1-19
0.453
LON-WEI-adc59df6-67
0.450
ERI-UCB-fbdd3ea1-21
0.449
NIR-WEI-f9286bb6-2
0.448
LON-WEI-adc59df6-64
0.446
LON-WEI-adc59df6-35
0.444
LON-WEI-adc59df6-66
0.442
LON-WEI-adc59df6-14
0.439
ERI-UCB-fbdd3ea1-23
0.437
ERI-UCB-fbdd3ea1-20
0.436