Molecular Properties | |
SMILES: | C=CC(=O)N(c1ccc(N(C)C)cc1)C(C(=O)Nc1ccc(OC)cc1)c1cccnc1 |
MW: | 430.508 |
Fraction sp3: | 0.16 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 74.77 |
cLogP: | 4.0552 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
N,N-Dialkyl aniline derivatives (2)
AAR-POS-d2a4d1df-1
LON-WEI-d1c9908a-7
0.797
LON-WEI-b8d98729-47
0.787
RIT-AID-af4ac3d4-1
0.778
LON-WEI-b8d98729-12
0.778
LON-WEI-b8d98729-27
0.778
LON-WEI-d1c9908a-5
0.759
LON-WEI-8f408cad-10
0.741
RAL-MED-9a5eb9cb-6
0.675
NIM-NMI-8bb27a2b-25
0.640
BRU-LEF-e1854a6f-1
0.640
LON-WEI-b8d98729-25
0.638
LON-WEI-b8d98729-22
0.629
RAL-MED-9a5eb9cb-4
0.622
RAL-MED-9a5eb9cb-14
0.622
LON-WEI-adc59df6-41
0.621
LON-WEI-b8d98729-24
0.614
RAL-MED-9a5eb9cb-5
0.606
LON-WEI-adc59df6-12
0.604
LON-WEI-d1c9908a-11
0.600
LON-WEI-b8d98729-35
0.593
LON-WEI-d1c9908a-2
0.593
LON-WEI-adc59df6-13
0.592
LON-WEI-b8d98729-14
0.587
LON-WEI-b8d98729-11
0.587
LON-WEI-b8d98729-33
0.587
LON-WEI-adc59df6-37
0.587
RAL-MED-9a5eb9cb-9
0.586
JAN-GHE-d851b096-4
0.578
RAL-MED-9a5eb9cb-8
0.573
RAL-MED-9a5eb9cb-3
0.562
LON-WEI-d1c9908a-3
0.558
RAL-MED-9a5eb9cb-1
0.554
LON-WEI-b8d98729-40
0.552
LON-WEI-adc59df6-18
0.548
LON-WEI-b8d98729-37
0.546
LON-WEI-b8d98729-28
0.546
LON-WEI-adc59df6-45
0.546
LON-WEI-b8d98729-8
0.546
LON-WEI-b8d98729-30
0.541
NIM-NMI-8bb27a2b-26
0.536
LON-WEI-adc59df6-24
0.536
LON-WEI-adc59df6-3
0.536
LON-WEI-d1c9908a-4
0.535
LON-WEI-adc59df6-46
0.532
LON-WEI-adc59df6-5
0.526
RAL-MED-9a5eb9cb-10
0.523
LON-WEI-adc59df6-15
0.521
LON-WEI-b8d98729-17
0.520
RAL-MED-9a5eb9cb-7
0.518
LON-WEI-adc59df6-4
0.515
LON-WEI-adc59df6-43
0.515
LON-WEI-adc59df6-30
0.511
LON-WEI-adc59df6-42
0.511
LON-WEI-b8d98729-19
0.510
LON-WEI-8f408cad-8
0.506
LON-WEI-b8d98729-10
0.505
LON-WEI-adc59df6-87
0.505
LON-WEI-adc59df6-11
0.505
LON-WEI-adc59df6-21
0.500
NIM-NMI-8bb27a2b-22
0.500
LON-WEI-b8d98729-9
0.500
LON-WEI-adc59df6-44
0.500
LON-WEI-b8d98729-26
0.495
LON-WEI-d1c9908a-6
0.495
NIM-NMI-8bb27a2b-19
0.495
LON-WEI-adc59df6-26
0.495
LON-WEI-adc59df6-80
0.494
LON-WEI-b8d98729-44
0.490
NIM-NMI-8bb27a2b-8
0.490
LON-WEI-adc59df6-9
0.490
LON-WEI-d1c9908a-12
0.490
LON-WEI-adc59df6-14
0.489
LON-WEI-adc59df6-29
0.489
RAL-MED-9a5eb9cb-12
0.489
LON-WEI-b8d98729-7
0.489
LON-WEI-b8d98729-6
0.489
ERI-UCB-fbdd3ea1-4
0.489
LON-WEI-b8d98729-16
0.485
LON-WEI-b8d98729-45
0.485
LON-WEI-adc59df6-27
0.484
BRU-LEF-8bac3ce8-1
0.484
LON-WEI-adc59df6-38
0.481
LON-WEI-b8d98729-41
0.479
LON-WEI-adc59df6-95
0.479
LON-WEI-adc59df6-35
0.479
JAN-GHE-d851b096-9
0.479
NIM-NMI-8bb27a2b-24
0.479
LON-WEI-d1c9908a-1
0.478
NIM-NMI-8bb27a2b-17
0.478
LON-WEI-adc59df6-34
0.475
LON-WEI-adc59df6-33
0.475
LON-WEI-d1c9908a-10
0.475
LON-WEI-adc59df6-82
0.473
LON-WEI-adc59df6-31
0.473
LON-WEI-b8d98729-13
0.470
LON-WEI-b8d98729-2
0.470
LON-WEI-adc59df6-16
0.470
LON-WEI-d1c9908a-9
0.470
NIM-NMI-8bb27a2b-21
0.470
LON-WEI-adc59df6-1
0.469