Molecular Properties | |
SMILES: | C=CC(=O)N(c1ccc(C(C)OC)cc1)C(C(=O)Nc1ccc(OC)cc1C)c1cccnc1 |
MW: | 459.546 |
Fraction sp3: | 0.22 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 9 |
TPSA: | 80.76 |
cLogP: | 5.00502 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-3742892507 |
Order Status | |
Shipped: | 2020-04-09 |
AAR-POS-d2a4d1df-1
GAR-UNK-2603e714-1
LON-WEI-d1c9908a-3
0.775
LON-WEI-b8d98729-40
0.767
LON-WEI-b8d98729-37
0.758
LON-WEI-b8d98729-28
0.758
LON-WEI-d1c9908a-4
0.742
LON-WEI-b8d98729-26
0.713
LON-WEI-b8d98729-30
0.695
LON-WEI-b8d98729-19
0.685
LON-WEI-b8d98729-1
0.641
LON-WEI-b8d98729-10
0.633
LON-WEI-b8d98729-45
0.633
LON-WEI-b8d98729-22
0.632
LON-WEI-b8d98729-17
0.620
LON-WEI-b8d98729-43
0.610
LON-WEI-adc59df6-45
0.600
LON-WEI-adc59df6-16
0.586
BRU-LEF-973da26b-1
0.546
LON-WEI-adc59df6-12
0.545
LON-WEI-d1c9908a-7
0.535
LON-WEI-b8d98729-47
0.530
RIT-AID-af4ac3d4-1
0.525
LON-WEI-b8d98729-12
0.525
LON-WEI-b8d98729-27
0.525
LON-WEI-adc59df6-18
0.525
LON-WEI-d1c9908a-5
0.515
LON-WEI-adc59df6-42
0.505
LON-WEI-8f408cad-10
0.505
LON-WEI-adc59df6-9
0.500
LON-WEI-adc59df6-33
0.500
LON-WEI-d1c9908a-9
0.495
NIM-NMI-8bb27a2b-22
0.480
LON-WEI-d1c9908a-13
0.477
LON-WEI-b8d98729-41
0.476
LON-WEI-adc59df6-80
0.474
LON-WEI-b8d98729-36
0.473
LON-WEI-adc59df6-34
0.472
LON-WEI-adc59df6-37
0.472
LON-WEI-d1c9908a-12
0.472
NIM-NMI-8bb27a2b-25
0.472
LON-WEI-b8d98729-13
0.467
LON-WEI-adc59df6-21
0.464
LON-WEI-adc59df6-3
0.463
JAN-GHE-d851b096-4
0.462
LON-WEI-adc59df6-24
0.459
LON-WEI-d1c9908a-10
0.458
NIM-NMI-8bb27a2b-21
0.454
LON-WEI-b8d98729-2
0.454
LON-WEI-adc59df6-7
0.454
RAL-MED-9a5eb9cb-10
0.454
LON-WEI-8f408cad-8
0.454
LON-WEI-adc59df6-46
0.453
LON-WEI-adc59df6-41
0.452
LON-WEI-b8d98729-25
0.451
RAL-MED-9a5eb9cb-9
0.451
LON-WEI-adc59df6-44
0.450
ERI-UCB-fbdd3ea1-2
0.450
ERI-UCB-fbdd3ea1-1
0.450
LON-WEI-b8d98729-29
0.450
LON-WEI-b8d98729-39
0.450
LON-WEI-b8d98729-35
0.449
LON-WEI-adc59df6-5
0.449
LON-WEI-b8d98729-24
0.448
LON-WEI-adc59df6-26
0.447
NIM-NMI-8bb27a2b-19
0.447
LON-WEI-adc59df6-30
0.444
LON-WEI-b8d98729-33
0.444
LON-WEI-adc59df6-15
0.444
LON-WEI-adc59df6-87
0.443
LON-WEI-d1c9908a-8
0.441
LON-WEI-adc59df6-82
0.441
LON-WEI-adc59df6-14
0.441
LON-WEI-adc59df6-31
0.441
LON-WEI-b8d98729-7
0.440
LON-WEI-b8d98729-6
0.440
ERI-UCB-fbdd3ea1-4
0.440
RAL-MED-9a5eb9cb-12
0.440
LON-WEI-d1c9908a-11
0.439
LON-WEI-adc59df6-27
0.438
BRU-LEF-e1854a6f-1
0.438
BRU-LEF-8bac3ce8-1
0.438
LON-WEI-d1c9908a-6
0.438
LON-WEI-adc59df6-91
0.437
LON-WEI-adc59df6-2
0.435
LON-WEI-d1c9908a-2
0.435
LON-WEI-adc59df6-11
0.434
RAL-MED-9a5eb9cb-6
0.433
LON-WEI-adc59df6-35
0.433
LON-WEI-adc59df6-95
0.433
NIM-NMI-8bb27a2b-24
0.433
NIM-NMI-8bb27a2b-26
0.432
LON-WEI-d1c9908a-1
0.431
NIM-NMI-8bb27a2b-17
0.431
LON-WEI-b8d98729-11
0.431
LON-WEI-b8d98729-14
0.431
LON-WEI-adc59df6-13
0.431
RAL-MED-9a5eb9cb-14
0.430
NIM-NMI-8bb27a2b-18
0.430
LON-WEI-adc59df6-4
0.429
LON-WEI-adc59df6-28
0.429
LON-WEI-adc59df6-38
0.429