Molecular Properties | |
SMILES: | C=CC(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)NCC1CCOC1)c1cccnc1 |
MW: | 421.541 |
Fraction sp3: | 0.4 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 71.53 |
cLogP: | 3.7921 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Order Status | |
Shipped: | 2020-05-13 |
Long aliphatic chain
AAR-POS-d2a4d1df-1
ALP-POS-88a7a97e-26
0.720
LON-WEI-adc59df6-32
0.714
LON-WEI-adc59df6-30
0.679
LON-WEI-adc59df6-39
0.659
LON-WEI-adc59df6-29
0.648
LON-WEI-adc59df6-44
0.644
LON-WEI-adc59df6-25
0.635
LON-WEI-adc59df6-26
0.633
LON-WEI-adc59df6-17
0.633
LON-WEI-adc59df6-3
0.631
LON-WEI-adc59df6-36
0.630
LON-WEI-adc59df6-14
0.629
LON-WEI-adc59df6-28
0.626
LON-WEI-adc59df6-27
0.620
LON-WEI-8f408cad-8
0.616
LON-WEI-adc59df6-35
0.615
LON-WEI-adc59df6-10
0.613
LON-WEI-adc59df6-40
0.613
LON-WEI-adc59df6-23
0.611
LON-WEI-adc59df6-21
0.609
LON-WEI-adc59df6-22
0.604
LON-WEI-adc59df6-8
0.602
LON-WEI-adc59df6-20
0.600
LON-WEI-adc59df6-2
0.594
LON-WEI-adc59df6-31
0.593
LON-WEI-adc59df6-41
0.585
LON-WEI-adc59df6-7
0.582
LON-WEI-adc59df6-47
0.576
LON-POS-586a7c45-1
0.576
PAU-WEI-5b8d5051-1
0.576
LON-WEI-adc59df6-37
0.571
LON-WEI-adc59df6-1
0.567
LON-WEI-adc59df6-4
0.564
LON-WEI-adc59df6-42
0.564
LON-WEI-d1c9908a-7
0.562
LON-WEI-adc59df6-83
0.561
LON-WEI-d1c9908a-10
0.556
LON-WEI-adc59df6-6
0.554
LON-WEI-adc59df6-18
0.551
LON-WEI-adc59df6-43
0.549
NIM-NMI-8bb27a2b-19
0.547
NIM-NMI-8bb27a2b-24
0.547
NIM-NMI-8bb27a2b-16
0.542
NIM-NMI-8bb27a2b-23
0.541
LON-WEI-adc59df6-33
0.540
LON-WEI-adc59df6-46
0.535
LON-WEI-adc59df6-45
0.534
NIM-NMI-8bb27a2b-17
0.532
LON-WEI-adc59df6-5
0.530
ALP-POS-88a7a97e-30
0.529
RAL-MED-9a5eb9cb-10
0.527
ERI-UCB-fbdd3ea1-4
0.527
RAL-MED-9a5eb9cb-12
0.527
NIM-NMI-8bb27a2b-18
0.525
LON-WEI-adc59df6-15
0.525
LON-WEI-adc59df6-34
0.525
LON-WEI-adc59df6-9
0.525
LON-WEI-adc59df6-12
0.525
LON-WEI-adc59df6-11
0.524
LON-WEI-adc59df6-91
0.521
LON-WEI-adc59df6-16
0.520
LON-WEI-d1c9908a-9
0.520
ALP-POS-88a7a97e-27
0.519
LON-WEI-adc59df6-13
0.519
LON-WEI-d1c9908a-3
0.515
LON-WEI-adc59df6-82
0.510
RAL-MED-9a5eb9cb-15
0.510
NIM-NMI-8bb27a2b-20
0.510
LON-WEI-adc59df6-24
0.510
ALP-POS-88a7a97e-9
0.505
LON-WEI-b8d98729-35
0.500
ALP-POS-88a7a97e-34
0.500
NIM-NMI-8bb27a2b-15
0.500
NIM-NMI-8bb27a2b-28
0.500
LON-WEI-babf2c61-9
0.495
LON-WEI-b8d98729-33
0.495
LON-WEI-d1c9908a-12
0.495
ALP-POS-88a7a97e-12
0.495
ALP-POS-88a7a97e-45
0.490
RIT-AID-af4ac3d4-1
0.490
BRU-LEF-8bac3ce8-1
0.490
NIM-NMI-8bb27a2b-22
0.490
ALP-POS-88a7a97e-14
0.490
LON-WEI-d1c9908a-1
0.485
LON-WEI-adc59df6-80
0.484
ALP-POS-88a7a97e-28
0.481
ALP-POS-88a7a97e-35
0.480
LON-WEI-b8d98729-6
0.479
LON-WEI-b8d98729-7
0.479
NIM-NMI-8bb27a2b-27
0.477
LON-WEI-b8d98729-27
0.476
RAL-MED-9a5eb9cb-9
0.475
LON-WEI-adc59df6-38
0.474
ALP-POS-88a7a97e-47
0.473
LON-WEI-b8d98729-39
0.472
ERI-UCB-fbdd3ea1-1
0.472
ERI-UCB-fbdd3ea1-2
0.472
LON-WEI-b8d98729-41
0.471
LON-WEI-adc59df6-95
0.470
ALP-POS-02c6a514-55
0.468