Molecular Properties | |
SMILES: | C=CC(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)NCCN1CCCC1)c1cccnc1 |
MW: | 434.584 |
Fraction sp3: | 0.42 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 65.54 |
cLogP: | 3.8514 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Long aliphatic chain
AAR-POS-d2a4d1df-1
LON-WEI-adc59df6-25
0.824
LON-WEI-adc59df6-29
0.723
ALP-POS-88a7a97e-11
0.707
LON-WEI-adc59df6-30
0.695
LON-WEI-adc59df6-26
0.686
LON-WEI-adc59df6-17
0.686
LON-WEI-adc59df6-27
0.670
LON-WEI-adc59df6-10
0.663
LON-WEI-adc59df6-3
0.646
LON-WEI-adc59df6-21
0.643
LON-WEI-adc59df6-2
0.641
LON-WEI-adc59df6-28
0.640
LON-WEI-8f408cad-8
0.631
LON-WEI-adc59df6-7
0.628
LON-WEI-adc59df6-40
0.626
LON-WEI-adc59df6-36
0.626
LON-WEI-adc59df6-14
0.625
LON-WEI-adc59df6-31
0.625
LON-WEI-adc59df6-32
0.621
LON-WEI-adc59df6-47
0.621
LON-POS-586a7c45-1
0.621
PAU-WEI-5b8d5051-1
0.621
LON-WEI-adc59df6-44
0.621
LON-WEI-adc59df6-8
0.615
LON-WEI-adc59df6-20
0.613
ALP-POS-02c6a514-55
0.612
LON-WEI-adc59df6-35
0.611
NIM-NMI-8bb27a2b-24
0.611
LON-WEI-adc59df6-23
0.606
LON-WEI-adc59df6-19
0.604
ALP-POS-88a7a97e-47
0.600
LON-WEI-adc59df6-42
0.593
NIM-NMI-8bb27a2b-16
0.587
LON-WEI-adc59df6-1
0.579
LON-WEI-d1c9908a-7
0.574
LON-WEI-adc59df6-39
0.568
ERI-UCB-fbdd3ea1-10
0.564
LON-WEI-adc59df6-41
0.564
LON-WEI-adc59df6-46
0.562
NIM-NMI-8bb27a2b-19
0.559
LON-WEI-adc59df6-5
0.557
NIM-NMI-8bb27a2b-23
0.552
LON-WEI-adc59df6-9
0.551
LON-WEI-d1c9908a-10
0.551
LON-WEI-adc59df6-37
0.551
LON-WEI-adc59df6-6
0.550
LON-WEI-adc59df6-11
0.549
LON-WEI-adc59df6-18
0.546
LON-WEI-adc59df6-43
0.545
RAL-MED-9a5eb9cb-10
0.539
RAL-MED-9a5eb9cb-12
0.538
ERI-UCB-fbdd3ea1-4
0.538
NIM-NMI-8bb27a2b-18
0.536
LON-WEI-adc59df6-15
0.535
LON-WEI-adc59df6-12
0.535
LON-WEI-adc59df6-33
0.535
LON-WEI-adc59df6-34
0.535
LON-WEI-babf2c61-9
0.535
LON-WEI-adc59df6-91
0.532
LON-WEI-adc59df6-16
0.530
LON-WEI-d1c9908a-9
0.530
LON-WEI-adc59df6-4
0.529
LON-WEI-adc59df6-95
0.526
LON-WEI-d1c9908a-3
0.525
LON-WEI-adc59df6-82
0.521
NIM-NMI-8bb27a2b-20
0.520
LON-WEI-adc59df6-24
0.520
LON-WEI-adc59df6-45
0.515
LON-WEI-adc59df6-80
0.511
NIM-NMI-8bb27a2b-17
0.511
NIM-NMI-8bb27a2b-15
0.510
NIM-NMI-8bb27a2b-28
0.510
RAL-MED-9a5eb9cb-15
0.505
ALP-POS-88a7a97e-35
0.505
ALP-POS-88a7a97e-22
0.505
LON-WEI-d1c9908a-12
0.505
NIM-NMI-8bb27a2b-27
0.500
LON-WEI-adc59df6-13
0.500
BRU-LEF-8bac3ce8-1
0.500
RIT-AID-af4ac3d4-1
0.500
ALP-POS-02c6a514-54
0.500
LON-WEI-b8d98729-35
0.495
LON-WEI-d1c9908a-1
0.495
LON-WEI-b8d98729-33
0.490
LON-WEI-adc59df6-87
0.490
LON-WEI-b8d98729-7
0.489
LON-WEI-b8d98729-6
0.489
LON-WEI-b8d98729-27
0.485
ALP-POS-88a7a97e-16
0.485
NIM-NMI-8bb27a2b-22
0.485
RAL-MED-9a5eb9cb-9
0.485
ALP-POS-88a7a97e-14
0.485
LON-WEI-adc59df6-38
0.482
ALP-POS-88a7a97e-31
0.480
LON-WEI-b8d98729-41
0.480
LON-WEI-babf2c61-4
0.476
ALP-POS-88a7a97e-3
0.476
ALP-POS-88a7a97e-46
0.476
LON-WEI-b8d98729-10
0.474
NIM-NMI-8bb27a2b-21
0.471