Molecular Properties | |
SMILES: | C=CC(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)Nc1cccc(F)c1)c1cccnc1 |
MW: | 431.511 |
Fraction sp3: | 0.19 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 62.3 |
cLogP: | 5.4172 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-1
LON-WEI-adc59df6-12
0.786
LON-WEI-adc59df6-15
0.786
LON-WEI-adc59df6-5
0.774
LON-WEI-adc59df6-41
0.747
LON-WEI-adc59df6-24
0.739
LON-WEI-adc59df6-16
0.697
LON-WEI-adc59df6-11
0.696
LON-WEI-adc59df6-4
0.692
LON-WEI-adc59df6-43
0.692
LON-WEI-adc59df6-3
0.684
LON-WEI-d1c9908a-7
0.678
LON-WEI-adc59df6-38
0.673
LON-POS-586a7c45-1
0.670
LON-WEI-adc59df6-47
0.670
PAU-WEI-5b8d5051-1
0.670
LON-WEI-adc59df6-33
0.648
LON-WEI-adc59df6-37
0.648
LON-WEI-8f408cad-8
0.646
LON-WEI-adc59df6-42
0.644
LON-WEI-d1c9908a-9
0.641
LON-WEI-adc59df6-21
0.639
LON-WEI-adc59df6-44
0.635
RAL-MED-9a5eb9cb-9
0.632
LON-WEI-adc59df6-30
0.631
JAN-GHE-d851b096-4
0.622
LON-WEI-adc59df6-29
0.621
LON-WEI-adc59df6-14
0.621
LON-WEI-adc59df6-23
0.620
LON-WEI-b8d98729-33
0.613
LON-WEI-adc59df6-9
0.613
LON-WEI-d1c9908a-10
0.613
NIM-NMI-8bb27a2b-26
0.611
LON-WEI-adc59df6-18
0.609
LON-WEI-adc59df6-35
0.607
LON-WEI-adc59df6-17
0.607
LON-WEI-adc59df6-26
0.607
LON-WEI-adc59df6-36
0.604
LON-WEI-adc59df6-31
0.602
LON-WEI-d1c9908a-3
0.600
LON-WEI-adc59df6-28
0.600
LON-WEI-adc59df6-39
0.598
LON-WEI-adc59df6-34
0.596
LON-WEI-adc59df6-8
0.593
LON-WEI-adc59df6-27
0.593
RIT-AID-af4ac3d4-1
0.591
LON-WEI-b8d98729-27
0.591
RAL-MED-9a5eb9cb-10
0.588
LON-WEI-adc59df6-45
0.588
LON-WEI-adc59df6-10
0.587
LON-WEI-adc59df6-40
0.587
LON-WEI-b8d98729-35
0.585
LON-WEI-adc59df6-13
0.584
NIM-NMI-8bb27a2b-25
0.579
LON-WEI-babf2c61-9
0.577
BRU-LEF-8bac3ce8-1
0.576
NIM-NMI-8bb27a2b-22
0.576
LON-WEI-adc59df6-20
0.574
LON-WEI-b8d98729-24
0.570
LON-WEI-adc59df6-2
0.568
ERI-UCB-fbdd3ea1-4
0.568
RAL-MED-9a5eb9cb-12
0.568
LON-WEI-d1c9908a-6
0.566
LON-WEI-adc59df6-22
0.562
LON-WEI-adc59df6-91
0.560
LON-WEI-b8d98729-17
0.560
LON-WEI-adc59df6-1
0.558
LON-WEI-adc59df6-7
0.557
JAN-GHE-d851b096-9
0.554
LON-WEI-b8d98729-41
0.553
LON-WEI-d1c9908a-12
0.546
LON-WEI-adc59df6-25
0.545
LON-WEI-b8d98729-36
0.545
NIM-NMI-8bb27a2b-21
0.541
NIM-NMI-8bb27a2b-17
0.538
NIM-NMI-8bb27a2b-24
0.538
LON-WEI-b8d98729-22
0.536
LON-WEI-d1c9908a-2
0.536
LON-WEI-b8d98729-39
0.535
LON-WEI-adc59df6-19
0.535
ERI-UCB-fbdd3ea1-2
0.535
LON-WEI-adc59df6-32
0.535
ERI-UCB-fbdd3ea1-1
0.535
LON-WEI-adc59df6-82
0.533
BRU-LEF-973da26b-1
0.532
NIM-NMI-8bb27a2b-16
0.532
LON-WEI-b8d98729-47
0.531
NIM-NMI-8bb27a2b-23
0.531
LON-WEI-adc59df6-6
0.530
LON-WEI-b8d98729-12
0.526
LON-WEI-b8d98729-37
0.525
LON-WEI-adc59df6-80
0.522
NIM-NMI-8bb27a2b-19
0.521
LON-WEI-b8d98729-7
0.516
LON-WEI-b8d98729-6
0.516
RAL-MED-9a5eb9cb-15
0.516
RAL-MED-9a5eb9cb-11
0.512
ALP-POS-02c6a514-56
0.510
LON-WEI-d1c9908a-11
0.510
LON-WEI-2e27a2e5-2
0.510
ALP-POS-02c6a514-26
0.510