Molecular Properties | |
SMILES: | C=CC(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)NCc1ccc(Cl)cc1)c1cccnc1 |
MW: | 461.993 |
Fraction sp3: | 0.22 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 62.3 |
cLogP: | 5.60920000000001 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Long aliphatic chain
AAR-POS-d2a4d1df-1
NIM-NMI-8bb27a2b-28
0.840
LON-WEI-adc59df6-23
0.817
LON-WEI-adc59df6-36
0.802
LON-WEI-adc59df6-40
0.802
LON-WEI-adc59df6-28
0.778
LON-WEI-adc59df6-30
0.713
LON-WEI-adc59df6-29
0.699
NIM-NMI-8bb27a2b-20
0.670
LON-WEI-adc59df6-26
0.663
LON-WEI-adc59df6-17
0.663
LON-WEI-adc59df6-3
0.662
LON-WEI-adc59df6-21
0.659
LON-WEI-adc59df6-27
0.648
LON-WEI-8f408cad-8
0.646
NIM-NMI-8bb27a2b-13
0.645
LON-WEI-adc59df6-10
0.640
NIM-NMI-8bb27a2b-27
0.638
LON-WEI-adc59df6-42
0.625
LON-WEI-adc59df6-31
0.621
LON-WEI-adc59df6-2
0.620
LON-POS-586a7c45-1
0.617
PAU-WEI-5b8d5051-1
0.617
LON-WEI-adc59df6-47
0.617
LON-WEI-adc59df6-44
0.616
LON-WEI-adc59df6-22
0.613
LON-WEI-adc59df6-33
0.613
LON-WEI-adc59df6-25
0.611
LON-WEI-adc59df6-7
0.606
LON-WEI-adc59df6-14
0.602
LON-WEI-adc59df6-32
0.600
LON-WEI-adc59df6-19
0.600
LON-WEI-b8d98729-33
0.596
LON-WEI-adc59df6-35
0.589
NIM-NMI-8bb27a2b-24
0.589
ALP-POS-02c6a514-57
0.581
LON-WEI-adc59df6-37
0.579
LON-WEI-adc59df6-9
0.579
LON-WEI-adc59df6-41
0.576
LON-WEI-adc59df6-8
0.576
LON-WEI-adc59df6-46
0.574
NIM-NMI-8bb27a2b-19
0.571
LON-WEI-d1c9908a-7
0.570
LON-WEI-adc59df6-5
0.568
NIM-NMI-8bb27a2b-16
0.565
NIM-NMI-8bb27a2b-23
0.564
LON-WEI-adc59df6-39
0.564
LON-WEI-d1c9908a-10
0.562
LON-WEI-adc59df6-15
0.562
LON-WEI-adc59df6-12
0.562
LON-WEI-adc59df6-18
0.558
LON-WEI-adc59df6-1
0.558
LON-WEI-d1c9908a-9
0.557
RAL-MED-9a5eb9cb-10
0.552
ALP-POS-88a7a97e-8
0.551
ERI-UCB-fbdd3ea1-4
0.551
RAL-MED-9a5eb9cb-12
0.551
NIM-NMI-8bb27a2b-18
0.547
LON-WEI-adc59df6-34
0.546
LON-WEI-adc59df6-24
0.545
LON-WEI-adc59df6-91
0.543
LON-WEI-adc59df6-16
0.541
LON-WEI-adc59df6-45
0.540
LON-WEI-d1c9908a-3
0.535
LON-WEI-adc59df6-82
0.533
ALP-POS-88a7a97e-4
0.531
LON-WEI-babf2c61-9
0.530
LON-WEI-adc59df6-6
0.530
LON-WEI-adc59df6-43
0.525
LON-WEI-adc59df6-4
0.525
LON-WEI-adc59df6-13
0.524
LON-WEI-b8d98729-24
0.521
LON-WEI-adc59df6-38
0.519
LON-WEI-d1c9908a-12
0.515
LON-WEI-adc59df6-11
0.515
RAL-MED-9a5eb9cb-9
0.511
BRU-LEF-8bac3ce8-1
0.510
NIM-NMI-8bb27a2b-10
0.510
LON-WEI-adc59df6-80
0.505
NIM-NMI-8bb27a2b-17
0.505
LON-WEI-adc59df6-78
0.505
LON-WEI-d1c9908a-2
0.505
LON-WEI-b8d98729-22
0.505
LON-WEI-b8d98729-35
0.505
LON-WEI-b8d98729-6
0.500
LON-WEI-b8d98729-7
0.500
NIM-NMI-8bb27a2b-14
0.495
NIM-NMI-8bb27a2b-21
0.495
RIT-AID-af4ac3d4-1
0.495
NIM-NMI-8bb27a2b-22
0.495
ALP-POS-02c6a514-53
0.495
ALP-POS-02c6a514-54
0.495
JAN-GHE-d851b096-4
0.490
LON-WEI-b8d98729-41
0.490
LON-WEI-d1c9908a-1
0.489
LON-WEI-adc59df6-53
0.489
LON-WEI-b8d98729-36
0.486
RAL-MED-9a5eb9cb-15
0.485
LON-WEI-b8d98729-10
0.484
LON-WEI-b8d98729-27
0.480
ALP-POS-88a7a97e-14
0.479