Molecular Properties | |
SMILES: | C=CC(=O)N(c1ccc(C(F)(F)F)cc1)C(C(=O)NCCCC)c1cccnc1 |
MW: | 405.17 |
Fraction sp3: | 0.29 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 62.3 |
cLogP: | 4.28 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Aliphatic long chain
Long aliphatic chain
AAR-POS-d2a4d1df-11
NIM-NMI-8bb27a2b-24
0.782
NIM-NMI-8bb27a2b-19
0.738
RAL-MED-9a5eb9cb-10
0.724
NIM-NMI-8bb27a2b-18
0.723
NIM-NMI-8bb27a2b-23
0.702
RAL-MED-9a5eb9cb-12
0.696
ERI-UCB-fbdd3ea1-4
0.696
LON-WEI-babf2c61-9
0.693
NIM-NMI-8bb27a2b-20
0.682
LON-WEI-adc59df6-27
0.679
LON-WEI-adc59df6-10
0.671
NIM-NMI-8bb27a2b-28
0.667
LON-WEI-adc59df6-30
0.662
NIM-NMI-8bb27a2b-17
0.659
LON-WEI-adc59df6-7
0.652
LON-WEI-adc59df6-29
0.651
NIM-NMI-8bb27a2b-27
0.648
RAL-MED-9a5eb9cb-9
0.643
NIM-NMI-8bb27a2b-22
0.640
RAL-MED-9a5eb9cb-11
0.636
LON-WEI-adc59df6-17
0.635
LON-WEI-adc59df6-26
0.635
RAL-MED-9a5eb9cb-15
0.628
LON-WEI-b8d98729-39
0.626
ERI-UCB-fbdd3ea1-2
0.626
ERI-UCB-fbdd3ea1-1
0.626
BRU-LEF-8bac3ce8-1
0.621
LON-WEI-b8d98729-27
0.618
LON-WEI-b8d98729-41
0.614
NIM-NMI-8bb27a2b-15
0.614
LON-WEI-adc59df6-2
0.611
NIM-NMI-8bb27a2b-21
0.598
LON-WEI-adc59df6-36
0.596
LON-WEI-adc59df6-31
0.593
LON-WEI-adc59df6-3
0.593
LON-WEI-adc59df6-47
0.591
PAU-WEI-5b8d5051-1
0.591
LON-POS-586a7c45-1
0.591
LON-WEI-adc59df6-28
0.591
LON-WEI-adc59df6-21
0.590
LON-WEI-adc59df6-22
0.587
NIM-NMI-8bb27a2b-25
0.587
LON-WEI-adc59df6-91
0.586
LON-WEI-b8d98729-37
0.579
LON-WEI-8f408cad-8
0.578
LON-WEI-adc59df6-40
0.578
LON-WEI-adc59df6-23
0.576
NIM-NMI-8bb27a2b-2
0.571
LON-WEI-adc59df6-25
0.568
NIM-NMI-8bb27a2b-26
0.568
LON-WEI-adc59df6-20
0.565
LON-WEI-adc59df6-15
0.553
LON-WEI-adc59df6-44
0.552
LON-WEI-adc59df6-19
0.542
LON-WEI-adc59df6-32
0.542
LON-WEI-adc59df6-14
0.539
LON-WEI-adc59df6-82
0.539
LON-WEI-adc59df6-41
0.533
LON-WEI-adc59df6-46
0.532
LON-WEI-adc59df6-80
0.529
LON-WEI-adc59df6-35
0.527
LON-WEI-adc59df6-42
0.527
LON-WEI-b8d98729-35
0.526
LON-WEI-b8d98729-7
0.523
LON-WEI-d1c9908a-10
0.521
LON-WEI-b8d98729-33
0.521
LON-WEI-d1c9908a-12
0.521
LON-WEI-adc59df6-8
0.516
LON-WEI-d1c9908a-1
0.511
LON-WEI-d1c9908a-7
0.511
LON-WEI-b8d98729-6
0.506
LON-WEI-adc59df6-39
0.505
LON-WEI-adc59df6-33
0.505
LON-WEI-adc59df6-34
0.505
LON-WEI-adc59df6-37
0.505
LON-WEI-babf2c61-6
0.505
LON-WEI-b8d98729-36
0.505
LON-WEI-babf2c61-5
0.505
LON-WEI-adc59df6-16
0.500
LON-WEI-adc59df6-18
0.500
LON-WEI-d1c9908a-9
0.500
ERI-UCB-fbdd3ea1-16
0.500
RIT-AID-af4ac3d4-1
0.500
LON-WEI-adc59df6-1
0.500
LON-WEI-babf2c61-8
0.495
LON-WEI-adc59df6-5
0.495
LON-WEI-adc59df6-24
0.490
RAL-MED-9a5eb9cb-4
0.490
LON-WEI-adc59df6-12
0.490
LON-WEI-adc59df6-9
0.490
ALP-POS-88a7a97e-35
0.489
LON-WEI-b8d98729-10
0.489
RAL-MED-9a5eb9cb-5
0.480
LON-WEI-d1c9908a-3
0.480
ERI-UCB-fbdd3ea1-3
0.480
LON-WEI-adc59df6-78
0.479
LON-WEI-adc59df6-95
0.479
LON-WEI-adc59df6-6
0.475
ALP-POS-88a7a97e-3
0.475
ALP-POS-88a7a97e-46
0.475