Molecular Properties | |
SMILES: | C=CC(=O)N(c1ccc(C(F)(F)F)cc1)C(C(=O)NCc1ccc(Cl)cc1)c1cccnc1 |
MW: | 473.11 |
Fraction sp3: | 0.12 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 62.3 |
cLogP: | 5.33 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
high halogen content (>3)
Long aliphatic chain
AAR-POS-d2a4d1df-11
LON-WEI-adc59df6-20
0.840
NIM-NMI-8bb27a2b-20
0.805
NIM-NMI-8bb27a2b-27
0.761
LON-WEI-adc59df6-23
0.705
NIM-NMI-8bb27a2b-24
0.694
LON-WEI-adc59df6-36
0.690
NIM-NMI-8bb27a2b-19
0.674
LON-WEI-adc59df6-40
0.670
NIM-NMI-8bb27a2b-16
0.667
RAL-MED-9a5eb9cb-10
0.659
LON-WEI-adc59df6-28
0.648
NIM-NMI-8bb27a2b-18
0.644
NIM-NMI-8bb27a2b-23
0.644
RAL-MED-9a5eb9cb-12
0.635
ERI-UCB-fbdd3ea1-4
0.635
RAL-MED-9a5eb9cb-9
0.625
LON-WEI-babf2c61-9
0.621
NIM-NMI-8bb27a2b-17
0.621
RAL-MED-9a5eb9cb-11
0.598
RAL-MED-9a5eb9cb-15
0.593
NIM-NMI-8bb27a2b-13
0.588
BRU-LEF-8bac3ce8-1
0.587
NIM-NMI-8bb27a2b-22
0.587
LON-WEI-adc59df6-30
0.586
NIM-NMI-8bb27a2b-21
0.583
NIM-NMI-8bb27a2b-15
0.581
LON-WEI-b8d98729-41
0.581
LON-WEI-adc59df6-29
0.578
LON-WEI-b8d98729-27
0.568
ERI-UCB-fbdd3ea1-1
0.561
LON-WEI-b8d98729-39
0.561
ERI-UCB-fbdd3ea1-2
0.561
LON-WEI-adc59df6-21
0.557
LON-WEI-b8d98729-33
0.557
NIM-NMI-8bb27a2b-25
0.557
NIM-NMI-8bb27a2b-26
0.556
LON-WEI-adc59df6-26
0.548
LON-WEI-adc59df6-17
0.548
LON-WEI-adc59df6-3
0.540
LON-WEI-adc59df6-91
0.538
LON-WEI-adc59df6-27
0.537
LON-WEI-b8d98729-37
0.535
LON-WEI-adc59df6-10
0.531
PAU-WEI-5b8d5051-1
0.530
LON-POS-586a7c45-1
0.530
LON-WEI-adc59df6-47
0.530
LON-WEI-8f408cad-8
0.528
WIL-UNI-a125ac6f-1
0.527
LON-WEI-adc59df6-31
0.527
LON-WEI-adc59df6-15
0.525
LON-WEI-adc59df6-33
0.525
LON-WEI-adc59df6-42
0.516
LON-WEI-adc59df6-2
0.515
LON-WEI-adc59df6-22
0.510
LON-WEI-adc59df6-25
0.510
LON-WEI-adc59df6-44
0.505
LON-WEI-adc59df6-7
0.505
LON-WEI-b8d98729-24
0.500
LON-WEI-adc59df6-32
0.500
LON-WEI-adc59df6-19
0.500
LON-WEI-adc59df6-14
0.495
LON-WEI-adc59df6-82
0.495
LON-WEI-adc59df6-46
0.490
LON-WEI-adc59df6-41
0.490
NIM-UNI-bb9030bf-2
0.489
LON-WEI-b8d98729-22
0.485
LON-WEI-d1c9908a-2
0.485
LON-WEI-adc59df6-35
0.485
LON-WEI-adc59df6-80
0.484
LON-WEI-babf2c61-5
0.481
LON-WEI-adc59df6-9
0.480
LON-WEI-adc59df6-37
0.480
ALP-POS-02c6a514-57
0.480
LON-WEI-b8d98729-7
0.479
LON-WEI-d1c9908a-9
0.476
LON-WEI-adc59df6-8
0.475
ALP-POS-88a7a97e-8
0.471
LON-WEI-b8d98729-35
0.471
LON-WEI-adc59df6-5
0.471
JAN-GHE-d851b096-4
0.470
LON-WEI-adc59df6-78
0.470
LON-WEI-d1c9908a-7
0.470
LON-WEI-b8d98729-36
0.467
LON-WEI-adc59df6-12
0.466
LON-WEI-d1c9908a-12
0.466
RAL-MED-9a5eb9cb-4
0.466
LON-WEI-d1c9908a-10
0.466
LON-WEI-adc59df6-39
0.465
LON-WEI-b8d98729-6
0.463
LON-WEI-adc59df6-16
0.462
NIM-NMI-8bb27a2b-10
0.462
RIT-AID-af4ac3d4-1
0.461
LON-WEI-adc59df6-18
0.461
LON-WEI-adc59df6-1
0.461
ERI-UCB-fbdd3ea1-16
0.460
RAL-MED-9a5eb9cb-5
0.458
LON-WEI-d1c9908a-1
0.454
LON-WEI-adc59df6-24
0.453
LON-WEI-babf2c61-6
0.453
LON-WEI-adc59df6-34
0.452