Molecular Properties | |
SMILES: | C=CC(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)N[C@H]1CC[C@@H](C(=O)OC)C1)c1cccnc1 |
MW: | 463.578 |
Fraction sp3: | 0.41 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 88.6 |
cLogP: | 4.0973 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Order Status | |
Shipped: | 2020-05-13 |
Ester
Long aliphatic chain
AAR-POS-d2a4d1df-1
LON-WEI-adc59df6-1
0.779
LON-WEI-adc59df6-44
0.756
LON-WEI-adc59df6-14
0.718
LON-WEI-adc59df6-35
0.701
LON-WEI-adc59df6-8
0.685
ALP-POS-88a7a97e-6
0.677
LON-WEI-adc59df6-39
0.670
NIM-NMI-8bb27a2b-17
0.629
LON-WEI-adc59df6-3
0.624
LON-WEI-adc59df6-21
0.621
LON-WEI-8f408cad-8
0.609
LON-WEI-adc59df6-26
0.609
LON-WEI-adc59df6-30
0.596
RAL-MED-9a5eb9cb-15
0.585
LON-WEI-adc59df6-27
0.579
LON-WEI-adc59df6-18
0.577
LON-WEI-adc59df6-42
0.574
LON-WEI-d1c9908a-7
0.573
NIM-NMI-8bb27a2b-15
0.573
LON-WEI-adc59df6-29
0.570
LON-WEI-adc59df6-31
0.570
LON-WEI-adc59df6-28
0.568
LON-WEI-adc59df6-12
0.566
LON-WEI-adc59df6-37
0.566
LON-WEI-adc59df6-41
0.562
LON-WEI-adc59df6-17
0.558
LON-WEI-adc59df6-40
0.557
LON-WEI-adc59df6-32
0.554
LON-WEI-adc59df6-19
0.554
LON-WEI-adc59df6-22
0.550
LON-WEI-adc59df6-24
0.549
LON-WEI-adc59df6-45
0.544
LON-WEI-adc59df6-10
0.541
LON-WEI-adc59df6-36
0.541
LON-WEI-adc59df6-2
0.540
LON-WEI-adc59df6-5
0.540
LON-WEI-adc59df6-23
0.540
LON-POS-586a7c45-1
0.539
LON-WEI-adc59df6-47
0.539
LON-WEI-d1c9908a-3
0.539
PAU-WEI-5b8d5051-1
0.539
LON-WEI-adc59df6-9
0.535
LON-WEI-adc59df6-20
0.530
LON-WEI-adc59df6-46
0.530
LON-WEI-adc59df6-16
0.529
LON-WEI-adc59df6-7
0.529
LON-WEI-adc59df6-43
0.529
RAL-MED-9a5eb9cb-10
0.522
RAL-MED-9a5eb9cb-12
0.521
ERI-UCB-fbdd3ea1-4
0.521
LON-WEI-adc59df6-15
0.520
LON-WEI-adc59df6-33
0.520
LON-WEI-d1c9908a-10
0.520
LON-WEI-adc59df6-34
0.520
LON-WEI-adc59df6-25
0.519
LON-WEI-adc59df6-11
0.519
ALP-POS-88a7a97e-15
0.519
LON-WEI-d1c9908a-9
0.515
LON-WEI-adc59df6-4
0.514
NIM-NMI-8bb27a2b-19
0.510
LON-WEI-adc59df6-38
0.509
LON-WEI-adc59df6-82
0.505
RIT-AID-af4ac3d4-1
0.500
LON-WEI-adc59df6-91
0.500
LON-WEI-adc59df6-13
0.500
LON-WEI-adc59df6-80
0.495
LON-WEI-d1c9908a-12
0.490
NIM-NMI-8bb27a2b-23
0.490
ALP-POS-88a7a97e-12
0.490
LON-WEI-b8d98729-10
0.490
LON-WEI-b8d98729-27
0.485
NIM-NMI-8bb27a2b-22
0.485
BRU-LEF-8bac3ce8-1
0.485
LON-WEI-b8d98729-41
0.480
NIM-NMI-8bb27a2b-24
0.480
NIM-NMI-8bb27a2b-3
0.480
LON-WEI-d1c9908a-1
0.480
NIM-NMI-8bb27a2b-18
0.476
NIM-NMI-8bb27a2b-16
0.475
LON-WEI-b8d98729-6
0.474
LON-WEI-b8d98729-7
0.474
ALP-POS-88a7a97e-45
0.471
RAL-MED-9a5eb9cb-9
0.470
LON-WEI-b8d98729-35
0.467
LON-WEI-adc59df6-83
0.467
LON-WEI-adc59df6-95
0.465
ALP-POS-88a7a97e-39
0.463
LON-WEI-babf2c61-9
0.463
NIM-NMI-8bb27a2b-25
0.462
ALP-POS-88a7a97e-28
0.462
LON-WEI-b8d98729-33
0.462
NIM-NMI-8bb27a2b-20
0.462
LON-WEI-adc59df6-87
0.462
LON-WEI-b8d98729-37
0.459
ALP-POS-88a7a97e-23
0.458
ALP-POS-88a7a97e-40
0.458
ALP-POS-88a7a97e-24
0.458
ALP-POS-88a7a97e-37
0.458
NIM-NMI-8bb27a2b-21
0.458
BRU-THA-40a53a3c-1
0.454