Molecular Properties | |
SMILES: | C=CC(=O)N(c1ccc(N(C)C)c(C)c1)C(C(=O)Nc1ccc(OC)cc1)c1cccnc1 |
MW: | 444.535 |
Fraction sp3: | 0.19 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 74.77 |
cLogP: | 4.36362 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-8753249237 |
Order Status | |
Shipped: | 2020-04-17 |
N,N-Dialkyl aniline derivatives (2)
AAR-POS-d2a4d1df-1
LON-WEI-b8d98729-11
0.812
LON-WEI-b8d98729-14
0.812
LON-WEI-b8d98729-30
0.747
BRU-LEF-973da26b-1
0.741
LON-WEI-b8d98729-16
0.677
LON-WEI-8f408cad-9
0.670
LON-WEI-b8d98729-13
0.667
LON-WEI-d1c9908a-7
0.667
LON-WEI-b8d98729-47
0.659
LON-WEI-b8d98729-27
0.652
LON-WEI-b8d98729-12
0.652
RIT-AID-af4ac3d4-1
0.652
LON-WEI-b8d98729-42
0.646
LON-WEI-d1c9908a-5
0.638
LON-WEI-b8d98729-25
0.636
RAL-MED-9a5eb9cb-6
0.612
BRU-LEF-e1854a6f-1
0.585
RAL-MED-9a5eb9cb-14
0.567
RAL-MED-9a5eb9cb-4
0.556
LON-WEI-b8d98729-22
0.545
RAL-MED-9a5eb9cb-5
0.544
NIM-NMI-8bb27a2b-25
0.540
LON-WEI-b8d98729-24
0.531
RAL-MED-9a5eb9cb-8
0.526
LON-WEI-adc59df6-12
0.525
LON-WEI-adc59df6-41
0.520
LON-WEI-d1c9908a-2
0.515
LON-WEI-d1c9908a-3
0.515
LON-WEI-b8d98729-33
0.510
LON-WEI-b8d98729-40
0.510
LON-WEI-b8d98729-44
0.509
LON-WEI-d1c9908a-11
0.505
LON-WEI-b8d98729-37
0.505
LON-WEI-b8d98729-28
0.505
LON-WEI-b8d98729-8
0.505
LON-WEI-b8d98729-9
0.505
LON-WEI-adc59df6-13
0.505
LON-WEI-b8d98729-35
0.500
LON-WEI-b8d98729-26
0.500
JAN-GHE-d851b096-4
0.500
LON-WEI-d1c9908a-4
0.495
LON-WEI-adc59df6-37
0.495
RAL-MED-9a5eb9cb-1
0.495
LON-WEI-b8d98729-1
0.491
RAL-MED-9a5eb9cb-9
0.490
JAN-GHE-d851b096-9
0.485
NIM-NMI-8bb27a2b-8
0.481
LON-WEI-adc59df6-45
0.477
RAL-MED-9a5eb9cb-7
0.473
RAL-MED-9a5eb9cb-3
0.470
LON-WEI-adc59df6-24
0.467
NIM-NMI-8bb27a2b-26
0.467
LON-WEI-adc59df6-46
0.462
LON-WEI-adc59df6-5
0.457
LON-WEI-b8d98729-17
0.455
LON-WEI-adc59df6-15
0.453
LON-WEI-adc59df6-73
0.450
LON-WEI-adc59df6-4
0.450
LON-WEI-adc59df6-43
0.450
LON-WEI-b8d98729-21
0.449
LON-WEI-adc59df6-18
0.448
NIM-NMI-8bb27a2b-22
0.447
LON-WEI-adc59df6-3
0.442
LON-WEI-adc59df6-11
0.441
LON-WEI-b8d98729-45
0.436
LON-WEI-adc59df6-16
0.435
RAL-MED-9a5eb9cb-10
0.433
LON-WEI-b8d98729-43
0.432
LON-WEI-d1c9908a-6
0.432
LON-WEI-b8d98729-19
0.430
LON-WEI-b8d98729-38
0.427
LON-WEI-adc59df6-42
0.427
LON-WEI-adc59df6-79
0.427
NIM-NMI-8bb27a2b-24
0.427
LON-WEI-d1c9908a-10
0.426
LON-WEI-adc59df6-9
0.426
JAN-GHE-d851b096-8
0.426
LON-WEI-adc59df6-68
0.425
LON-WEI-adc59df6-87
0.425
LON-WEI-adc59df6-30
0.424
LON-WEI-adc59df6-38
0.424
LON-WEI-b8d98729-2
0.422
NIM-NMI-8bb27a2b-21
0.422
LON-WEI-b8d98729-10
0.422
LON-WEI-adc59df6-104
0.421
LON-WEI-adc59df6-70
0.420
LON-WEI-adc59df6-84
0.419
LON-WEI-b8d98729-48
0.419
LON-WEI-8f408cad-8
0.418
ERI-UCB-fbdd3ea1-1
0.418
LON-WEI-b8d98729-29
0.418
LON-WEI-b8d98729-39
0.418
ERI-UCB-fbdd3ea1-2
0.418
LON-WEI-b8d98729-18
0.418
ERI-UCB-fbdd3ea1-15
0.417
NIM-NMI-8bb27a2b-9
0.416
LON-WEI-adc59df6-44
0.416
LON-WEI-adc59df6-21
0.414
NIM-NMI-8bb27a2b-19
0.413
LON-WEI-adc59df6-26
0.413