Molecular Properties | |
SMILES: | C=CC(=O)N(c1ccc2c(c1)NC(=O)NC2)C(C(=O)NC(C)(C)C)c1cccnc1 |
MW: | 407.474 |
Fraction sp3: | 0.27 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 103.43 |
cLogP: | 2.8917 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Long aliphatic chain
AAR-POS-d2a4d1df-1
LON-WEI-adc59df6-103
0.602
LON-WEI-d1c9908a-1
0.593
JAN-GHE-d851b096-8
0.593
LON-WEI-8f408cad-9
0.591
LON-WEI-adc59df6-79
0.591
LON-WEI-adc59df6-102
0.590
LON-WEI-adc59df6-73
0.587
LON-WEI-adc59df6-68
0.583
LON-WEI-adc59df6-80
0.578
LON-WEI-8f408cad-8
0.573
LON-WEI-b8d98729-31
0.571
LON-WEI-adc59df6-100
0.561
LON-WEI-adc59df6-74
0.558
LON-WEI-b8d98729-7
0.554
RAL-MED-9a5eb9cb-12
0.554
ERI-UCB-fbdd3ea1-4
0.554
LON-WEI-b8d98729-6
0.554
LON-WEI-b8d98729-10
0.553
LON-WEI-adc59df6-101
0.547
LON-WEI-adc59df6-91
0.547
LON-WEI-adc59df6-104
0.545
LON-WEI-b8d98729-32
0.543
LON-WEI-adc59df6-95
0.542
LON-WEI-adc59df6-78
0.541
LON-WEI-adc59df6-70
0.538
LON-WEI-adc59df6-82
0.537
LON-WEI-adc59df6-85
0.525
LON-WEI-adc59df6-83
0.525
LON-WEI-adc59df6-87
0.520
LON-WEI-adc59df6-84
0.515
LON-WEI-adc59df6-65
0.500
ERI-UCB-fbdd3ea1-15
0.500
ERI-UCB-fbdd3ea1-13
0.485
ERI-UCB-fbdd3ea1-11
0.480
LON-WEI-b8d98729-23
0.480
LON-WEI-adc59df6-81
0.479
ERI-UCB-fbdd3ea1-30
0.466
ERI-UCB-fbdd3ea1-17
0.461
ERI-UCB-fbdd3ea1-12
0.461
ERI-UCB-fbdd3ea1-31
0.457
ERI-UCB-fbdd3ea1-16
0.456
LON-WEI-adc59df6-3
0.453
LON-WEI-adc59df6-96
0.450
LON-WEI-adc59df6-69
0.446
LON-WEI-adc59df6-99
0.446
ERI-UCB-fbdd3ea1-19
0.444
LON-WEI-adc59df6-44
0.440
LON-WEI-adc59df6-21
0.439
LON-WEI-adc59df6-35
0.437
LON-WEI-adc59df6-86
0.437
ERI-UCB-fbdd3ea1-14
0.436
ERI-UCB-fbdd3ea1-18
0.436
LON-WEI-adc59df6-93
0.436
LON-WEI-adc59df6-30
0.434
LON-WEI-adc59df6-71
0.433
LON-WEI-adc59df6-62
0.433
LON-WEI-adc59df6-63
0.433
LON-WEI-adc59df6-77
0.432
LON-WEI-adc59df6-14
0.431
LON-WEI-adc59df6-72
0.430
RAL-MED-9a5eb9cb-10
0.429
LON-WEI-adc59df6-27
0.429
LON-WEI-adc59df6-41
0.429
ERI-UCB-fbdd3ea1-21
0.427
LON-WEI-adc59df6-11
0.425
LON-WEI-adc59df6-64
0.425
LON-WEI-adc59df6-26
0.423
LON-WEI-adc59df6-39
0.421
NIM-NMI-8bb27a2b-16
0.419
LON-WEI-adc59df6-94
0.419
ERI-UCB-fbdd3ea1-22
0.417
LON-WEI-adc59df6-29
0.417
LON-WEI-adc59df6-31
0.417
LON-WEI-adc59df6-75
0.417
LON-WEI-adc59df6-97
0.417
RIT-AID-a497c99f-1
0.417
LON-WEI-d1c9908a-11
0.417
LON-WEI-adc59df6-60
0.416
ERI-UCB-fbdd3ea1-33
0.416
LON-WEI-adc59df6-8
0.415
LON-WEI-adc59df6-89
0.415
NIM-NMI-8bb27a2b-22
0.415
ERI-UCB-fbdd3ea1-20
0.415
LON-WEI-adc59df6-32
0.414
LON-WEI-adc59df6-23
0.413
LON-WEI-d1c9908a-2
0.413
LON-WEI-d1c9908a-4
0.412
NIR-WEI-f9286bb6-2
0.412
LON-WEI-adc59df6-36
0.411
LON-WEI-adc59df6-17
0.410
LON-WEI-adc59df6-42
0.410
JAN-GHE-d851b096-9
0.410
NIM-NMI-8bb27a2b-24
0.410
LON-WEI-b8d98729-11
0.409
LON-WEI-b8d98729-14
0.409
LON-WEI-d1c9908a-5
0.409
NIM-NMI-8bb27a2b-17
0.408
LON-WEI-adc59df6-76
0.407
LON-WEI-adc59df6-92
0.407
LON-WEI-adc59df6-4
0.407