Molecular Properties | |
SMILES: | C=CC(=O)N(c1cc(C(C)(C)C)on1)C(C(=O)Nc1ccc(OC(F)(F)F)cc1)c1cccnc1 |
MW: | 488.17 |
Fraction sp3: | 0.25 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 97.56 |
cLogP: | 5.16 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-11
NIM-NMI-8bb27a2b-9
0.691
LON-WEI-b8d98729-15
0.657
NIM-NMI-8bb27a2b-6
0.649
LON-WEI-b8d98729-43
0.646
LON-WEI-b8d98729-23
0.644
NIM-NMI-8bb27a2b-3
0.641
ERI-UCB-fbdd3ea1-28
0.627
NIM-NMI-8bb27a2b-11
0.621
ERI-UCB-fbdd3ea1-7
0.621
NIM-NMI-8bb27a2b-25
0.612
ERI-UCB-fbdd3ea1-6
0.608
NIM-NMI-8bb27a2b-4
0.604
ERI-UCB-fbdd3ea1-9
0.604
NIM-NMI-8bb27a2b-7
0.604
LON-WEI-b8d98729-46
0.604
NIM-NMI-8bb27a2b-5
0.602
NIM-NMI-8bb27a2b-12
0.602
NIM-NMI-8bb27a2b-2
0.598
NIM-NMI-8bb27a2b-1
0.596
ERI-UCB-fbdd3ea1-5
0.596
LON-WEI-babf2c61-10
0.583
ERI-UCB-fbdd3ea1-8
0.578
NIM-NMI-8bb27a2b-10
0.574
NIM-NMI-8bb27a2b-13
0.563
ERI-UCB-fbdd3ea1-10
0.547
BRU-LEF-e1854a6f-1
0.545
NIM-NMI-8bb27a2b-14
0.542
LON-WEI-d1c9908a-7
0.540
JAN-GHE-d851b096-7
0.529
LON-WEI-b8d98729-27
0.515
RIT-AID-af4ac3d4-1
0.500
RAL-MED-9a5eb9cb-6
0.500
LON-WEI-adc59df6-41
0.500
RAL-MED-9a5eb9cb-14
0.495
BRU-LEF-973da26b-1
0.490
ERI-UCB-fbdd3ea1-33
0.490
DAR-DIA-2b784ede-31
0.490
ERI-UCB-fbdd3ea1-26
0.490
LON-WEI-b8d98729-12
0.486
LON-WEI-8f408cad-10
0.481
LON-WEI-adc59df6-15
0.477
LON-WEI-b8d98729-47
0.476
ERI-UCB-fbdd3ea1-24
0.474
LON-WEI-adc59df6-13
0.474
ERI-UCB-fbdd3ea1-32
0.472
ERI-UCB-fbdd3ea1-30
0.467
LON-WEI-d1c9908a-5
0.463
LON-WEI-b8d98729-21
0.459
LON-WEI-adc59df6-46
0.458
ERI-UCB-fbdd3ea1-31
0.458
LON-WEI-adc59df6-12
0.450
RAL-MED-9a5eb9cb-4
0.450
RAL-MED-9a5eb9cb-8
0.448
LON-WEI-adc59df6-4
0.446
LON-WEI-adc59df6-43
0.446
DAR-DIA-2b784ede-35
0.446
LON-WEI-b8d98729-25
0.443
LON-WEI-babf2c61-13
0.442
RAL-MED-9a5eb9cb-9
0.442
LON-WEI-b8d98729-35
0.440
LON-WEI-b8d98729-22
0.440
LON-WEI-babf2c61-12
0.439
LON-WEI-adc59df6-24
0.438
LON-WEI-b8d98729-33
0.436
LON-WEI-b8d98729-11
0.436
LON-WEI-b8d98729-14
0.436
LON-WEI-adc59df6-37
0.436
LON-WEI-adc59df6-16
0.432
LON-WEI-babf2c61-11
0.431
LON-WEI-d1c9908a-3
0.429
LON-WEI-adc59df6-5
0.427
ERI-UCB-fbdd3ea1-25
0.427
LON-WEI-b8d98729-24
0.426
JAN-GHE-d851b096-4
0.426
NIM-NMI-8bb27a2b-26
0.425
LON-WEI-adc59df6-3
0.424
RAL-MED-9a5eb9cb-1
0.422
DAR-DIA-2b784ede-32
0.421
ERI-UCB-fbdd3ea1-29
0.419
DAR-DIA-2b784ede-33
0.419
LON-WEI-d1c9908a-11
0.418
RAL-MED-9a5eb9cb-5
0.417
LON-WEI-babf2c61-14
0.417
ALP-POS-95f71980-16
0.417
ERI-UCB-fbdd3ea1-15
0.415
LON-WEI-d1c9908a-2
0.414
LON-WEI-adc59df6-11
0.414
LON-WEI-adc59df6-44
0.413
LON-WEI-adc59df6-21
0.412
LON-WEI-b8d98729-37
0.409
LON-WEI-adc59df6-45
0.409
LON-WEI-adc59df6-30
0.408
ERI-UCB-fbdd3ea1-16
0.404
RAL-MED-9a5eb9cb-10
0.402
LON-WEI-8f408cad-8
0.402
ERI-UCB-fbdd3ea1-13
0.402
ERI-UCB-fbdd3ea1-34
0.402
LON-WEI-adc59df6-38
0.398
LON-WEI-adc59df6-33
0.398
LON-WEI-adc59df6-9
0.398