Molecular Properties | |
SMILES: | C/C=C/C(=O)N(c1ccc(C(F)(F)F)cc1)C(C(=O)Nc1ccc(OC)cc1)c1cccnc1 |
MW: | 469.463 |
Fraction sp3: | 0.16 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 71.53 |
cLogP: | 5.3981 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Activated double bonds (2)
vinyl michael acceptor1
AAR-POS-0daf6b7e-21
LON-WEI-b8d98729-27
0.807
RAL-MED-9a5eb9cb-5
0.805
RAL-MED-9a5eb9cb-1
0.733
LON-WEI-d1c9908a-7
0.682
NIM-NMI-8bb27a2b-25
0.670
RIT-AID-af4ac3d4-1
0.667
BRU-LEF-973da26b-1
0.622
RAL-MED-9a5eb9cb-9
0.618
LON-WEI-b8d98729-12
0.613
LON-WEI-b8d98729-47
0.602
RAL-MED-9a5eb9cb-3
0.593
LON-WEI-d1c9908a-5
0.583
LON-WEI-b8d98729-37
0.576
NIM-NMI-8bb27a2b-26
0.566
RAL-MED-9a5eb9cb-10
0.557
LON-WEI-8f408cad-10
0.556
LON-WEI-adc59df6-41
0.547
NIM-NMI-8bb27a2b-19
0.543
RAL-MED-9a5eb9cb-6
0.534
BRU-LEF-e1854a6f-1
0.531
NIM-NMI-8bb27a2b-22
0.531
RAL-MED-9a5eb9cb-14
0.527
NIM-NMI-8bb27a2b-24
0.526
RAL-MED-9a5eb9cb-12
0.522
ERI-UCB-fbdd3ea1-4
0.522
LON-WEI-adc59df6-12
0.520
BRU-LEF-8bac3ce8-1
0.515
LON-WEI-adc59df6-13
0.514
NIM-NMI-8bb27a2b-17
0.511
LON-WEI-b8d98729-41
0.510
LON-WEI-b8d98729-35
0.510
LON-WEI-b8d98729-25
0.509
NIM-NMI-8bb27a2b-18
0.505
NIM-NMI-8bb27a2b-23
0.505
LON-WEI-b8d98729-33
0.505
LON-WEI-adc59df6-37
0.505
LON-WEI-adc59df6-15
0.505
NIM-NMI-8bb27a2b-21
0.500
RAL-MED-9a5eb9cb-11
0.500
ERI-UCB-fbdd3ea1-2
0.495
ERI-UCB-fbdd3ea1-1
0.495
LON-WEI-b8d98729-39
0.495
RAL-MED-9a5eb9cb-8
0.490
RAL-MED-9a5eb9cb-15
0.490
NIM-NMI-8bb27a2b-16
0.490
LON-WEI-d1c9908a-3
0.481
LON-WEI-b8d98729-22
0.480
NIM-NMI-8bb27a2b-15
0.480
RAL-MED-9a5eb9cb-18
0.478
NIM-NMI-8bb27a2b-20
0.475
LON-WEI-adc59df6-45
0.472
LON-WEI-adc59df6-46
0.471
RAL-MED-9a5eb9cb-16
0.468
NIM-NMI-8bb27a2b-28
0.466
LON-WEI-b8d98729-24
0.465
LON-WEI-adc59df6-24
0.462
WIL-UNI-a125ac6f-1
0.459
LON-WEI-adc59df6-18
0.456
LON-WEI-d1c9908a-11
0.456
ERI-UCB-fbdd3ea1-3
0.452
LON-WEI-d1c9908a-2
0.452
LON-WEI-adc59df6-5
0.452
LON-WEI-adc59df6-3
0.452
RAL-MED-9a5eb9cb-2
0.451
NIM-NMI-8bb27a2b-8
0.450
LON-WEI-babf2c61-9
0.449
LON-WEI-adc59df6-43
0.444
NIM-NMI-8bb27a2b-27
0.444
LON-WEI-adc59df6-4
0.444
LON-WEI-adc59df6-21
0.438
JAN-GHE-d851b096-4
0.437
LON-WEI-adc59df6-11
0.436
RAL-MED-9a5eb9cb-17
0.436
LON-WEI-adc59df6-42
0.436
RAL-MED-9a5eb9cb-7
0.435
LON-WEI-b8d98729-11
0.434
LON-WEI-b8d98729-14
0.434
LON-WEI-adc59df6-30
0.433
LON-WEI-b8d98729-28
0.431
LON-WEI-8f408cad-8
0.427
LON-WEI-adc59df6-91
0.426
LON-WEI-adc59df6-44
0.424
LON-WEI-b8d98729-40
0.422
LON-WEI-adc59df6-26
0.422
LON-WEI-adc59df6-33
0.421
LON-WEI-d1c9908a-12
0.421
LON-WEI-adc59df6-9
0.421
LON-WEI-adc59df6-38
0.419
LON-WEI-b8d98729-8
0.418
LON-WEI-adc59df6-16
0.417
LON-WEI-d1c9908a-9
0.417
LON-WEI-adc59df6-14
0.416
LON-WEI-adc59df6-31
0.416
ALP-POS-02c6a514-56
0.415
LON-WEI-adc59df6-27
0.413
LON-WEI-d1c9908a-4
0.411
LON-WEI-b8d98729-36
0.411
ALP-POS-88a7a97e-41
0.411
LON-WEI-adc59df6-36
0.410
LON-WEI-adc59df6-35
0.408