Molecular Properties | |
SMILES: | C=CC(=O)N(c1ccc(C(F)(F)F)cc1C(C)C)C(C(=O)NC(C)(C)C)c1cccnc1 |
MW: | 447.21 |
Fraction sp3: | 0.38 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 62.3 |
cLogP: | 5.4 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Long aliphatic chain
AAR-POS-d2a4d1df-1
ERI-UCB-fbdd3ea1-15
0.769
ERI-UCB-fbdd3ea1-16
0.741
RAL-MED-9a5eb9cb-12
0.634
ERI-UCB-fbdd3ea1-4
0.634
LON-WEI-8f408cad-8
0.578
LON-WEI-adc59df6-91
0.568
LON-WEI-adc59df6-80
0.547
LON-WEI-b8d98729-23
0.545
ERI-UCB-fbdd3ea1-11
0.545
LON-WEI-b8d98729-32
0.545
LON-WEI-8f408cad-9
0.544
LON-WEI-b8d98729-7
0.540
LON-WEI-adc59df6-82
0.539
LON-WEI-adc59df6-101
0.533
ERI-UCB-fbdd3ea1-13
0.533
LON-WEI-adc59df6-77
0.531
LON-WEI-adc59df6-81
0.529
JAN-GHE-d851b096-8
0.528
LON-WEI-adc59df6-74
0.527
LON-WEI-adc59df6-79
0.527
LON-WEI-adc59df6-70
0.523
LON-WEI-b8d98729-6
0.523
LON-WEI-b8d98729-10
0.522
LON-WEI-adc59df6-73
0.522
LON-WEI-adc59df6-103
0.522
LON-WEI-d1c9908a-1
0.511
ERI-UCB-fbdd3ea1-30
0.511
RAL-MED-9a5eb9cb-10
0.506
ERI-UCB-fbdd3ea1-12
0.505
LON-WEI-adc59df6-87
0.505
LON-WEI-adc59df6-84
0.500
LON-WEI-adc59df6-100
0.500
LON-WEI-adc59df6-104
0.500
LON-WEI-adc59df6-95
0.495
LON-WEI-adc59df6-68
0.490
LON-WEI-adc59df6-31
0.489
ERI-UCB-fbdd3ea1-31
0.485
LON-WEI-adc59df6-65
0.485
LON-WEI-adc59df6-21
0.483
LON-WEI-b8d98729-31
0.480
LON-WEI-adc59df6-78
0.479
LON-WEI-adc59df6-85
0.479
NIM-NMI-8bb27a2b-24
0.479
NIM-NMI-8bb27a2b-17
0.478
LON-WEI-adc59df6-15
0.475
NIR-WEI-f9286bb6-2
0.467
LON-WEI-adc59df6-3
0.466
LON-WEI-adc59df6-83
0.465
NIM-NMI-8bb27a2b-19
0.463
ERI-UCB-fbdd3ea1-18
0.462
LON-WEI-adc59df6-88
0.461
ERI-UCB-fbdd3ea1-14
0.461
NIM-NMI-8bb27a2b-23
0.459
RAL-MED-9a5eb9cb-15
0.458
NIM-NMI-8bb27a2b-16
0.458
LON-WEI-adc59df6-69
0.457
LON-WEI-adc59df6-75
0.457
LON-WEI-adc59df6-97
0.457
ERI-UCB-fbdd3ea1-22
0.457
ALP-POS-c59291d4-6
0.457
LON-WEI-adc59df6-72
0.457
ERI-UCB-fbdd3ea1-19
0.457
LON-WEI-adc59df6-102
0.456
NIM-NMI-8bb27a2b-22
0.454
RAL-MED-9a5eb9cb-9
0.453
ERI-UCB-fbdd3ea1-21
0.453
LON-WEI-adc59df6-44
0.452
RAL-MED-9a5eb9cb-11
0.448
LON-WEI-adc59df6-30
0.446
LON-WEI-adc59df6-66
0.446
NIM-NMI-8bb27a2b-18
0.444
LON-WEI-adc59df6-71
0.443
LON-WEI-adc59df6-62
0.443
LON-WEI-adc59df6-63
0.443
NIM-NMI-8bb27a2b-21
0.441
LON-WEI-adc59df6-60
0.441
LON-WEI-b8d98729-27
0.440
ERI-UCB-fbdd3ea1-23
0.440
LON-WEI-adc59df6-41
0.439
BRU-LEF-8bac3ce8-1
0.439
LON-WEI-adc59df6-67
0.439
NIM-NMI-8bb27a2b-28
0.436
DAR-DIA-2b784ede-49
0.435
NIM-NMI-8bb27a2b-15
0.434
LON-WEI-adc59df6-64
0.434
LON-WEI-b8d98729-41
0.434
LON-WEI-adc59df6-35
0.433
LON-WEI-adc59df6-42
0.433
LON-WEI-adc59df6-86
0.433
LON-WEI-babf2c61-9
0.433
NIM-NMI-8bb27a2b-26
0.433
LON-WEI-adc59df6-96
0.432
LON-WEI-adc59df6-93
0.432
NIM-NMI-8bb27a2b-20
0.430
DAR-DIA-2b784ede-51
0.430
LON-WEI-b8d98729-37
0.429
LON-WEI-adc59df6-94
0.429
LON-WEI-adc59df6-99
0.427
LON-WEI-adc59df6-14
0.427
LON-WEI-adc59df6-29
0.427