Molecular Properties | |
SMILES: | C=CC(=O)N(c1ccc(C(F)(F)F)cc1C)C(C(=O)NC(C)(C)C)c1cccnc1 |
MW: | 419.18 |
Fraction sp3: | 0.32 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 62.3 |
cLogP: | 4.58 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Long aliphatic chain
AAR-POS-d2a4d1df-1
ERI-UCB-fbdd3ea1-17
0.769
ERI-UCB-fbdd3ea1-16
0.759
ERI-UCB-fbdd3ea1-4
0.650
RAL-MED-9a5eb9cb-12
0.650
LON-WEI-8f408cad-9
0.612
LON-WEI-8f408cad-8
0.593
LON-WEI-adc59df6-91
0.581
LON-WEI-b8d98729-23
0.576
LON-WEI-adc59df6-101
0.563
LON-WEI-adc59df6-80
0.560
LON-WEI-adc59df6-81
0.560
LON-WEI-adc59df6-77
0.558
LON-WEI-b8d98729-7
0.553
LON-WEI-adc59df6-73
0.552
LON-WEI-adc59df6-82
0.552
ERI-UCB-fbdd3ea1-11
0.540
JAN-GHE-d851b096-8
0.540
LON-WEI-adc59df6-79
0.539
LON-WEI-adc59df6-70
0.535
LON-WEI-b8d98729-6
0.535
ERI-UCB-fbdd3ea1-13
0.528
LON-WEI-adc59df6-84
0.527
LON-WEI-b8d98729-32
0.523
LON-WEI-d1c9908a-1
0.523
LON-WEI-adc59df6-74
0.522
RAL-MED-9a5eb9cb-10
0.518
LON-WEI-b8d98729-10
0.517
ERI-UCB-fbdd3ea1-12
0.516
LON-WEI-adc59df6-103
0.516
LON-WEI-adc59df6-100
0.511
NIM-NMI-8bb27a2b-17
0.506
LON-WEI-adc59df6-95
0.505
ERI-UCB-fbdd3ea1-30
0.505
LON-WEI-adc59df6-68
0.500
LON-WEI-adc59df6-88
0.500
LON-WEI-adc59df6-65
0.495
LON-WEI-adc59df6-104
0.495
ERI-UCB-fbdd3ea1-31
0.495
NIM-NMI-8bb27a2b-22
0.495
LON-WEI-b8d98729-31
0.490
LON-WEI-adc59df6-85
0.489
LON-WEI-adc59df6-78
0.489
LON-WEI-adc59df6-15
0.485
LON-WEI-adc59df6-87
0.484
RAL-MED-9a5eb9cb-15
0.484
LON-WEI-adc59df6-31
0.484
LON-WEI-adc59df6-97
0.484
LON-WEI-adc59df6-75
0.484
LON-WEI-adc59df6-102
0.480
LON-WEI-adc59df6-98
0.479
LON-WEI-adc59df6-44
0.478
NIR-WEI-f9286bb6-2
0.478
LON-WEI-adc59df6-21
0.477
LON-WEI-adc59df6-3
0.477
LON-WEI-adc59df6-83
0.474
NIM-NMI-8bb27a2b-19
0.473
NIM-NMI-8bb27a2b-24
0.473
ERI-UCB-fbdd3ea1-14
0.470
NIM-NMI-8bb27a2b-23
0.469
NIM-NMI-8bb27a2b-18
0.469
NIM-NMI-8bb27a2b-16
0.468
ERI-UCB-fbdd3ea1-22
0.467
ALP-POS-c59291d4-6
0.467
ERI-UCB-fbdd3ea1-19
0.467
LON-WEI-b8d98729-37
0.465
NIM-NMI-8bb27a2b-21
0.465
ERI-UCB-fbdd3ea1-21
0.462
RAL-MED-9a5eb9cb-9
0.462
LON-WEI-adc59df6-61
0.461
ERI-UCB-fbdd3ea1-2
0.460
ERI-UCB-fbdd3ea1-1
0.460
LON-WEI-b8d98729-39
0.460
RAL-MED-9a5eb9cb-11
0.459
NIM-NMI-8bb27a2b-15
0.458
NIM-NMI-8bb27a2b-3
0.457
LON-WEI-adc59df6-35
0.457
LON-WEI-adc59df6-93
0.457
ERI-UCB-fbdd3ea1-18
0.457
LON-WEI-adc59df6-30
0.456
LON-WEI-adc59df6-62
0.453
LON-WEI-adc59df6-63
0.453
LON-WEI-adc59df6-71
0.453
LON-WEI-adc59df6-69
0.452
LON-WEI-adc59df6-14
0.452
LON-WEI-adc59df6-72
0.451
ERI-UCB-fbdd3ea1-33
0.451
LON-WEI-adc59df6-60
0.451
LON-WEI-adc59df6-16
0.450
LON-WEI-b8d98729-27
0.449
ERI-UCB-fbdd3ea1-6
0.449
LON-WEI-adc59df6-41
0.448
BRU-LEF-8bac3ce8-1
0.448
NIM-NMI-8bb27a2b-28
0.444
ERI-UCB-fbdd3ea1-7
0.443
LON-WEI-b8d98729-41
0.443
LON-WEI-adc59df6-86
0.442
LON-WEI-babf2c61-9
0.441
LON-WEI-adc59df6-96
0.441
LON-WEI-adc59df6-66
0.440
NIM-NMI-8bb27a2b-6
0.439