Molecular Properties | |
SMILES: | C=CC(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)NC1CC(C(=O)OC)C1)c1cccnc1 |
MW: | 449.551 |
Fraction sp3: | 0.38 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 88.6 |
cLogP: | 3.7072 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Order Status | |
Shipped: | 2020-05-13 |
Ester
Long aliphatic chain
AAR-POS-d2a4d1df-1
LON-WEI-adc59df6-6
0.779
LON-WEI-adc59df6-44
0.759
LON-WEI-adc59df6-14
0.741
LON-WEI-adc59df6-35
0.723
LON-WEI-adc59df6-8
0.706
LON-WEI-adc59df6-39
0.690
LON-WEI-adc59df6-3
0.662
ALP-POS-88a7a97e-15
0.660
LON-WEI-8f408cad-8
0.646
LON-WEI-adc59df6-26
0.644
LON-WEI-adc59df6-21
0.639
LON-WEI-adc59df6-30
0.631
NIM-NMI-8bb27a2b-17
0.628
LON-WEI-adc59df6-27
0.611
LON-WEI-adc59df6-42
0.607
LON-WEI-d1c9908a-7
0.604
LON-WEI-adc59df6-29
0.602
LON-WEI-adc59df6-31
0.602
RAL-MED-9a5eb9cb-15
0.600
LON-WEI-adc59df6-28
0.600
LON-WEI-adc59df6-18
0.591
LON-WEI-adc59df6-17
0.589
LON-WEI-adc59df6-40
0.587
NIM-NMI-8bb27a2b-15
0.587
LON-WEI-adc59df6-12
0.579
LON-WEI-adc59df6-22
0.579
LON-WEI-adc59df6-37
0.579
LON-WEI-adc59df6-24
0.577
LON-WEI-adc59df6-41
0.576
LON-WEI-adc59df6-45
0.571
LON-WEI-adc59df6-10
0.570
LON-WEI-adc59df6-36
0.570
LON-WEI-adc59df6-5
0.568
LON-WEI-adc59df6-2
0.568
LON-WEI-adc59df6-19
0.567
LON-WEI-adc59df6-32
0.567
LON-WEI-d1c9908a-3
0.567
LON-WEI-adc59df6-9
0.562
LON-WEI-adc59df6-46
0.558
LON-WEI-adc59df6-20
0.558
LON-WEI-adc59df6-7
0.557
LON-WEI-adc59df6-23
0.552
RAL-MED-9a5eb9cb-10
0.552
LON-POS-586a7c45-1
0.551
PAU-WEI-5b8d5051-1
0.551
LON-WEI-adc59df6-47
0.551
RAL-MED-9a5eb9cb-12
0.551
ERI-UCB-fbdd3ea1-4
0.551
LON-WEI-d1c9908a-10
0.546
LON-WEI-adc59df6-15
0.546
LON-WEI-adc59df6-33
0.546
LON-WEI-adc59df6-34
0.546
LON-WEI-adc59df6-25
0.545
LON-WEI-adc59df6-16
0.541
LON-WEI-d1c9908a-9
0.541
LON-WEI-adc59df6-4
0.540
LON-WEI-adc59df6-43
0.540
NIM-NMI-8bb27a2b-19
0.538
LON-WEI-adc59df6-82
0.533
LON-WEI-adc59df6-11
0.529
LON-WEI-adc59df6-91
0.527
RIT-AID-af4ac3d4-1
0.526
LON-WEI-adc59df6-13
0.524
LON-WEI-adc59df6-80
0.522
ALP-POS-88a7a97e-6
0.519
LON-WEI-b8d98729-10
0.516
NIM-NMI-8bb27a2b-23
0.515
BRU-LEF-8bac3ce8-1
0.510
LON-WEI-b8d98729-27
0.510
LON-WEI-d1c9908a-1
0.505
NIM-NMI-8bb27a2b-24
0.505
LON-WEI-adc59df6-38
0.505
LON-WEI-b8d98729-7
0.500
LON-WEI-b8d98729-6
0.500
LON-WEI-d1c9908a-12
0.500
NIM-NMI-8bb27a2b-16
0.500
NIM-NMI-8bb27a2b-18
0.500
NIM-NMI-8bb27a2b-22
0.495
RAL-MED-9a5eb9cb-9
0.495
LON-WEI-b8d98729-35
0.490
LON-WEI-b8d98729-41
0.490
NIM-NMI-8bb27a2b-3
0.490
LON-WEI-adc59df6-95
0.490
LON-WEI-b8d98729-33
0.485
NIM-NMI-8bb27a2b-25
0.485
LON-WEI-adc59df6-87
0.485
ALP-POS-88a7a97e-12
0.485
NIM-NMI-8bb27a2b-20
0.485
LON-WEI-b8d98729-37
0.481
NIM-NMI-8bb27a2b-21
0.480
ALP-POS-88a7a97e-45
0.480
RAL-MED-9a5eb9cb-11
0.477
LON-WEI-adc59df6-83
0.475
ALP-POS-88a7a97e-34
0.475
LON-WEI-adc59df6-78
0.475
ERI-UCB-fbdd3ea1-7
0.475
RIT-AID-a497c99f-1
0.472
LON-WEI-babf2c61-9
0.471
ALP-POS-88a7a97e-28
0.471
BRU-LEF-973da26b-1
0.469