Molecular Properties | |
SMILES: | C=CC(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)NC1CCCCC1)c1cccnc1 |
MW: | 419.569 |
Fraction sp3: | 0.42 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 62.3 |
cLogP: | 5.0883 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Order Status | |
Shipped: | 2020-05-13 |
Long aliphatic chain
AAR-POS-d2a4d1df-1
LON-WEI-adc59df6-35
0.944
LON-WEI-adc59df6-14
0.917
LON-WEI-adc59df6-44
0.863
NIM-NMI-8bb27a2b-15
0.833
RAL-MED-9a5eb9cb-15
0.785
LON-WEI-adc59df6-39
0.778
NIM-NMI-8bb27a2b-17
0.713
LON-WEI-adc59df6-1
0.706
LON-WEI-adc59df6-3
0.688
LON-WEI-adc59df6-6
0.685
LON-WEI-adc59df6-21
0.684
LON-WEI-8f408cad-8
0.671
BRU-THA-40a53a3c-1
0.656
LON-WEI-adc59df6-30
0.654
NIM-NMI-8bb27a2b-1
0.633
ERI-UCB-fbdd3ea1-5
0.633
LON-WEI-adc59df6-42
0.628
LON-WEI-adc59df6-26
0.628
LON-WEI-adc59df6-29
0.624
LON-WEI-adc59df6-31
0.624
LON-WEI-adc59df6-32
0.620
LON-WEI-adc59df6-22
0.615
LON-WEI-adc59df6-37
0.615
ALP-POS-88a7a97e-28
0.615
LON-WEI-adc59df6-41
0.614
LON-WEI-adc59df6-17
0.609
LON-WEI-d1c9908a-7
0.607
LON-WEI-adc59df6-5
0.604
LON-WEI-adc59df6-28
0.602
LON-WEI-adc59df6-19
0.602
LON-WEI-adc59df6-24
0.596
LON-WEI-adc59df6-25
0.596
LON-WEI-adc59df6-27
0.596
ALP-POS-88a7a97e-45
0.593
LON-WEI-adc59df6-46
0.593
ERI-UCB-fbdd3ea1-6
0.593
LON-WEI-adc59df6-18
0.593
LON-WEI-adc59df6-10
0.589
LON-WEI-adc59df6-36
0.589
LON-WEI-adc59df6-40
0.589
LON-WEI-adc59df6-12
0.581
LON-WEI-adc59df6-34
0.581
LON-WEI-adc59df6-15
0.581
LON-WEI-adc59df6-9
0.581
LON-WEI-adc59df6-33
0.581
LON-WEI-d1c9908a-10
0.581
LON-WEI-adc59df6-11
0.577
LON-WEI-adc59df6-20
0.576
LON-WEI-adc59df6-16
0.574
LON-WEI-d1c9908a-9
0.574
JAN-GHE-d851b096-7
0.574
LON-WEI-adc59df6-4
0.573
LON-WEI-adc59df6-43
0.573
LON-WEI-adc59df6-45
0.573
ERI-UCB-fbdd3ea1-7
0.571
RAL-MED-9a5eb9cb-10
0.571
LON-WEI-adc59df6-2
0.570
LON-WEI-adc59df6-23
0.570
RAL-MED-9a5eb9cb-12
0.570
ERI-UCB-fbdd3ea1-4
0.570
LON-WEI-d1c9908a-3
0.568
ALP-POS-88a7a97e-12
0.565
BRU-LEF-8bac3ce8-1
0.560
LON-WEI-adc59df6-7
0.558
PAU-WEI-5b8d5051-1
0.552
LON-POS-586a7c45-1
0.552
LON-WEI-adc59df6-47
0.552
LON-WEI-b8d98729-7
0.552
LON-WEI-adc59df6-82
0.551
LON-WEI-adc59df6-91
0.544
LON-WEI-adc59df6-13
0.539
NIM-NMI-8bb27a2b-3
0.538
LON-WEI-d1c9908a-12
0.531
RAL-MED-9a5eb9cb-9
0.527
NIM-NMI-8bb27a2b-22
0.527
RIT-AID-af4ac3d4-1
0.526
ALP-POS-88a7a97e-9
0.525
LON-WEI-adc59df6-80
0.523
LON-WEI-d1c9908a-1
0.522
LON-WEI-adc59df6-95
0.522
NIM-NMI-8bb27a2b-19
0.522
NIM-NMI-8bb27a2b-24
0.522
LON-WEI-b8d98729-41
0.521
LON-WEI-b8d98729-35
0.521
LON-WEI-adc59df6-38
0.519
LON-WEI-b8d98729-6
0.517
NIM-NMI-8bb27a2b-16
0.516
NIM-NMI-8bb27a2b-23
0.516
LON-WEI-b8d98729-33
0.515
LON-WEI-b8d98729-27
0.510
LON-WEI-adc59df6-83
0.505
ALP-POS-88a7a97e-34
0.505
JAN-GHE-76def03c-1
0.505
LON-WEI-b8d98729-10
0.500
ERI-UCB-fbdd3ea1-8
0.500
NIM-NMI-8bb27a2b-25
0.500
NIM-NMI-8bb27a2b-18
0.500
JAN-GHE-76def03c-3
0.500
NIM-NMI-8bb27a2b-21
0.495
RAL-MED-9a5eb9cb-11
0.494