Molecular Properties | |
SMILES: | C=CC(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)Nc1cccc(OCc2ccccc2)c1)c1cccnc1 |
MW: | 519.645 |
Fraction sp3: | 0.18 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 9 |
TPSA: | 71.53 |
cLogP: | 6.85710000000001 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-1
LON-WEI-adc59df6-13
0.760
LON-WEI-adc59df6-12
0.729
LON-WEI-adc59df6-46
0.673
LON-WEI-adc59df6-5
0.650
LON-WEI-adc59df6-15
0.644
LON-WEI-adc59df6-24
0.641
LON-WEI-adc59df6-40
0.604
LON-WEI-d1c9908a-7
0.604
LON-WEI-adc59df6-37
0.596
LON-WEI-adc59df6-41
0.594
LON-WEI-adc59df6-11
0.578
LON-WEI-adc59df6-43
0.574
LON-WEI-adc59df6-4
0.574
LON-WEI-adc59df6-3
0.568
RAL-MED-9a5eb9cb-9
0.564
LON-WEI-adc59df6-18
0.562
LON-WEI-adc59df6-42
0.559
LON-WEI-d1c9908a-3
0.556
LON-WEI-adc59df6-28
0.553
LON-WEI-adc59df6-34
0.551
LON-WEI-b8d98729-17
0.550
LON-WEI-adc59df6-30
0.545
LON-WEI-adc59df6-36
0.543
JAN-GHE-d851b096-4
0.543
PAU-WEI-5b8d5051-1
0.541
LON-POS-586a7c45-1
0.541
LON-WEI-adc59df6-47
0.541
LON-WEI-8f408cad-8
0.541
LON-WEI-d1c9908a-6
0.541
LON-WEI-adc59df6-14
0.539
LON-WEI-adc59df6-31
0.539
LON-WEI-d1c9908a-10
0.537
NIM-NMI-8bb27a2b-26
0.536
LON-WEI-adc59df6-21
0.535
LON-WEI-adc59df6-44
0.535
RIT-AID-af4ac3d4-1
0.533
LON-WEI-adc59df6-16
0.532
LON-WEI-adc59df6-45
0.532
LON-WEI-adc59df6-17
0.529
LON-WEI-adc59df6-26
0.529
LON-WEI-adc59df6-35
0.529
LON-WEI-adc59df6-23
0.528
LON-WEI-adc59df6-29
0.524
LON-WEI-adc59df6-9
0.523
LON-WEI-b8d98729-33
0.523
LON-WEI-adc59df6-33
0.523
LON-WEI-adc59df6-8
0.519
LON-WEI-adc59df6-27
0.519
LON-WEI-b8d98729-27
0.519
LON-WEI-adc59df6-20
0.519
LON-WEI-d1c9908a-9
0.518
LON-WEI-adc59df6-10
0.514
LON-WEI-b8d98729-35
0.514
NIM-NMI-8bb27a2b-20
0.509
NIM-NMI-8bb27a2b-25
0.509
LON-WEI-adc59df6-6
0.509
BRU-LEF-8bac3ce8-1
0.505
ALP-POS-02c6a514-56
0.505
LON-WEI-adc59df6-1
0.505
LON-WEI-adc59df6-2
0.500
LON-WEI-d1c9908a-12
0.495
LON-WEI-adc59df6-39
0.495
LON-WEI-b8d98729-38
0.492
LON-WEI-b8d98729-16
0.491
LON-WEI-adc59df6-7
0.491
NIM-NMI-8bb27a2b-22
0.491
LON-WEI-adc59df6-32
0.487
JAN-GHE-d851b096-9
0.486
LON-WEI-adc59df6-25
0.482
LON-WEI-adc59df6-22
0.482
BRU-LEF-973da26b-1
0.481
RAL-MED-9a5eb9cb-10
0.480
LON-WEI-b8d98729-37
0.478
LON-WEI-adc59df6-19
0.474
LON-WEI-b8d98729-41
0.473
LON-WEI-b8d98729-15
0.470
LON-WEI-babf2c61-9
0.470
LON-WEI-b8d98729-47
0.468
ERI-UCB-fbdd3ea1-4
0.467
RAL-MED-9a5eb9cb-12
0.467
NIM-NMI-8bb27a2b-27
0.466
LON-WEI-b8d98729-12
0.464
LON-WEI-adc59df6-91
0.463
ERI-UCB-fbdd3ea1-2
0.461
ERI-UCB-fbdd3ea1-1
0.461
LON-WEI-b8d98729-39
0.461
LON-WEI-b8d98729-22
0.460
LON-WEI-b8d98729-24
0.459
NIM-NMI-8bb27a2b-19
0.459
LON-WEI-b8d98729-36
0.458
LON-WEI-d1c9908a-5
0.456
ALP-POS-02c6a514-57
0.455
NIM-NMI-8bb27a2b-23
0.455
ALP-POS-88a7a97e-44
0.455
LON-WEI-adc59df6-82
0.454
NIM-NMI-8bb27a2b-21
0.452
ALP-POS-02c6a514-11
0.448
LON-WEI-d1c9908a-2
0.447
NIM-NMI-8bb27a2b-24
0.445
NIM-NMI-8bb27a2b-17
0.444