Molecular Properties | |
SMILES: | C=CC(=O)N(c1ccc(C(C)OC)cc1)C(C(=O)Nc1ccc(Cl)cc1)c1cccnc1 |
MW: | 449.938 |
Fraction sp3: | 0.16 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 71.53 |
cLogP: | 5.3414 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-4585749356 |
Order Status | |
Shipped: | 2020-04-09 |
AAR-POS-d2a4d1df-1
LON-WEI-b8d98729-24
0.729
LON-WEI-d1c9908a-2
0.705
LON-WEI-b8d98729-33
0.697
LON-WEI-b8d98729-17
0.688
LON-WEI-b8d98729-10
0.671
LON-WEI-b8d98729-19
0.667
LON-WEI-b8d98729-11
0.641
LON-WEI-b8d98729-45
0.632
LON-WEI-b8d98729-8
0.632
BRU-LEF-973da26b-1
0.629
LON-WEI-d1c9908a-7
0.615
JAN-GHE-d851b096-4
0.615
LON-WEI-b8d98729-47
0.609
LON-WEI-adc59df6-41
0.604
LON-WEI-b8d98729-12
0.602
LON-WEI-b8d98729-27
0.602
RIT-AID-af4ac3d4-1
0.602
LON-WEI-d1c9908a-5
0.589
LON-WEI-b8d98729-44
0.586
NIM-NMI-8bb27a2b-25
0.573
RAL-MED-9a5eb9cb-9
0.571
LON-WEI-d1c9908a-11
0.568
LON-WEI-b8d98729-35
0.562
LON-WEI-b8d98729-21
0.551
ALP-POS-568d9d36-1
0.551
LON-WEI-8f408cad-10
0.545
LON-WEI-adc59df6-12
0.541
LON-WEI-adc59df6-37
0.541
LON-WEI-adc59df6-46
0.536
WIL-UNI-a125ac6f-1
0.527
LON-WEI-b8d98729-14
0.525
LON-WEI-adc59df6-24
0.525
LON-WEI-adc59df6-13
0.519
JAN-GHE-d851b096-9
0.516
LON-WEI-adc59df6-42
0.516
LON-WEI-adc59df6-5
0.515
LON-WEI-adc59df6-15
0.510
LON-WEI-adc59df6-33
0.510
LON-WEI-adc59df6-3
0.506
BRU-LEF-e1854a6f-1
0.505
LON-WEI-adc59df6-20
0.505
LON-WEI-b8d98729-25
0.500
LON-WEI-adc59df6-80
0.500
LON-WEI-adc59df6-11
0.495
LON-WEI-adc59df6-9
0.495
RAL-MED-9a5eb9cb-10
0.495
LON-WEI-adc59df6-43
0.490
LON-WEI-adc59df6-4
0.490
LON-WEI-adc59df6-18
0.490
LON-WEI-adc59df6-21
0.489
RAL-MED-9a5eb9cb-6
0.489
LON-WEI-d1c9908a-6
0.486
NIM-NMI-8bb27a2b-28
0.485
RAL-MED-9a5eb9cb-14
0.484
LON-WEI-adc59df6-30
0.484
NIM-NMI-8bb27a2b-26
0.481
RAL-MED-9a5eb9cb-4
0.480
LON-WEI-8f408cad-8
0.478
LON-WEI-b8d98729-9
0.476
LON-WEI-adc59df6-45
0.476
NIM-NMI-8bb27a2b-21
0.476
LON-WEI-d1c9908a-9
0.476
NIM-NMI-8bb27a2b-22
0.475
LON-WEI-adc59df6-44
0.474
LON-WEI-d1c9908a-3
0.471
LON-WEI-adc59df6-26
0.469
NIM-NMI-8bb27a2b-19
0.469
LON-WEI-adc59df6-95
0.469
LON-WEI-b8d98729-36
0.467
LON-WEI-b8d98729-40
0.467
LON-WEI-adc59df6-34
0.466
LON-WEI-d1c9908a-12
0.466
LON-WEI-adc59df6-28
0.465
LON-WEI-adc59df6-31
0.464
LON-WEI-adc59df6-14
0.464
RAL-MED-9a5eb9cb-12
0.463
LON-WEI-b8d98729-7
0.463
ERI-UCB-fbdd3ea1-4
0.463
LON-WEI-b8d98729-6
0.463
LON-WEI-b8d98729-37
0.462
LON-WEI-b8d98729-28
0.462
LON-WEI-adc59df6-7
0.462
LON-WEI-adc59df6-16
0.462
LON-WEI-adc59df6-38
0.460
LON-WEI-adc59df6-27
0.460
BRU-LEF-8bac3ce8-1
0.460
LON-WEI-d1c9908a-13
0.458
RAL-MED-9a5eb9cb-5
0.458
LON-WEI-b8d98729-41
0.455
LON-WEI-adc59df6-36
0.455
LON-WEI-adc59df6-35
0.455
NIM-NMI-8bb27a2b-24
0.455
LON-WEI-d1c9908a-4
0.454
LON-WEI-d1c9908a-1
0.454
NIM-NMI-8bb27a2b-17
0.454
LON-WEI-d1c9908a-10
0.452
LON-WEI-adc59df6-39
0.451
LON-WEI-b8d98729-16
0.450
LON-WEI-adc59df6-29
0.449
LON-WEI-adc59df6-82
0.449