Molecular Properties | |
SMILES: | C=CC(=O)N(c1cnn(C2CC2)c1)C(C(=O)NC(C)(C)C)c1cccnc1 |
MW: | 367.453 |
Fraction sp3: | 0.4 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 80.12 |
cLogP: | 2.788 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Long aliphatic chain
AAR-POS-d2a4d1df-1
LON-WEI-8f408cad-8
0.602
LON-WEI-adc59df6-70
0.600
LON-WEI-adc59df6-80
0.588
LON-WEI-d1c9908a-1
0.586
LON-WEI-b8d98729-32
0.586
LON-WEI-adc59df6-95
0.584
LON-WEI-adc59df6-79
0.584
LON-WEI-b8d98729-6
0.581
RAL-MED-9a5eb9cb-12
0.581
ERI-UCB-fbdd3ea1-4
0.581
LON-WEI-b8d98729-7
0.581
LON-WEI-adc59df6-83
0.581
JAN-GHE-d851b096-8
0.568
LON-WEI-adc59df6-73
0.562
LON-WEI-adc59df6-82
0.562
LON-WEI-b8d98729-10
0.562
LON-WEI-adc59df6-91
0.556
LON-WEI-adc59df6-101
0.556
LON-WEI-adc59df6-104
0.553
LON-WEI-8f408cad-9
0.549
LON-WEI-adc59df6-74
0.549
LON-WEI-adc59df6-78
0.548
LON-WEI-adc59df6-103
0.543
LON-WEI-adc59df6-68
0.543
LON-WEI-adc59df6-87
0.543
LON-WEI-adc59df6-84
0.538
LON-WEI-adc59df6-81
0.534
ERI-UCB-fbdd3ea1-11
0.533
ERI-UCB-fbdd3ea1-22
0.527
LON-WEI-adc59df6-88
0.525
ERI-UCB-fbdd3ea1-21
0.522
LON-WEI-adc59df6-100
0.521
LON-WEI-adc59df6-65
0.521
ERI-UCB-fbdd3ea1-30
0.516
LON-WEI-b8d98729-31
0.515
ERI-UCB-fbdd3ea1-13
0.505
ERI-UCB-fbdd3ea1-31
0.505
LON-WEI-adc59df6-102
0.505
LON-WEI-b8d98729-23
0.500
ERI-UCB-fbdd3ea1-18
0.500
ERI-UCB-fbdd3ea1-12
0.495
LON-WEI-adc59df6-69
0.495
LON-WEI-adc59df6-99
0.495
ERI-UCB-fbdd3ea1-19
0.495
ERI-UCB-fbdd3ea1-23
0.490
ERI-UCB-fbdd3ea1-15
0.489
LON-WEI-adc59df6-44
0.489
LON-WEI-adc59df6-35
0.484
LON-WEI-adc59df6-86
0.484
LON-WEI-adc59df6-96
0.484
LON-WEI-adc59df6-94
0.479
ERI-UCB-fbdd3ea1-17
0.479
LON-WEI-adc59df6-14
0.479
LON-WEI-adc59df6-75
0.479
LON-WEI-adc59df6-67
0.474
ERI-UCB-fbdd3ea1-16
0.474
LON-WEI-adc59df6-3
0.472
LON-WEI-adc59df6-64
0.469
LON-WEI-adc59df6-93
0.468
ERI-UCB-fbdd3ea1-14
0.466
LON-WEI-adc59df6-97
0.463
LON-WEI-adc59df6-72
0.462
LON-WEI-adc59df6-8
0.459
ERI-UCB-fbdd3ea1-20
0.459
LON-WEI-adc59df6-21
0.457
LON-WEI-adc59df6-36
0.455
NIM-NMI-8bb27a2b-17
0.453
LON-WEI-adc59df6-30
0.452
LON-WEI-adc59df6-39
0.450
LON-WEI-adc59df6-76
0.450
LON-WEI-adc59df6-92
0.450
RAL-MED-9a5eb9cb-15
0.449
LON-WEI-adc59df6-62
0.449
LON-WEI-adc59df6-63
0.449
LON-WEI-adc59df6-71
0.449
LON-WEI-adc59df6-77
0.448
RAL-MED-9a5eb9cb-10
0.446
LON-WEI-adc59df6-89
0.444
LON-WEI-adc59df6-19
0.442
NIR-WEI-f9286bb6-2
0.442
LON-WEI-adc59df6-40
0.440
LON-WEI-adc59df6-17
0.439
LON-WEI-adc59df6-25
0.438
LON-WEI-adc59df6-22
0.437
LON-WEI-adc59df6-28
0.434
LON-WEI-adc59df6-29
0.433
LON-WEI-adc59df6-31
0.433
ALP-POS-c59291d4-6
0.433
LON-WEI-adc59df6-1
0.431
LON-WEI-adc59df6-20
0.431
LON-WEI-adc59df6-98
0.431
LON-WEI-adc59df6-46
0.431
LON-WEI-adc59df6-27
0.430
LON-WEI-adc59df6-41
0.430
LON-WEI-d1c9908a-6
0.430
LON-WEI-adc59df6-32
0.429
LON-WEI-adc59df6-5
0.427
LON-WEI-adc59df6-23
0.427
LON-WEI-d1c9908a-7
0.426
NIM-NMI-8bb27a2b-15
0.426