Molecular Properties | |
SMILES: | C=CC(=O)N(c1ccc(C(C)(C)CC)cc1)C(C(=O)Nc1ccc(Cl)cc1)c1cccnc1 |
MW: | 461.993 |
Fraction sp3: | 0.22 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 62.3 |
cLogP: | 6.32160000000001 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-5895117546 |
Order Status | |
Shipped: | 2020-04-09 |
AAR-POS-d2a4d1df-1
LON-WEI-b8d98729-35
0.819
LON-WEI-b8d98729-24
0.721
LON-WEI-b8d98729-22
0.697
LON-WEI-d1c9908a-2
0.697
LON-WEI-adc59df6-41
0.690
LON-WEI-d1c9908a-12
0.689
LON-WEI-b8d98729-36
0.663
LON-WEI-d1c9908a-7
0.663
RIT-AID-af4ac3d4-1
0.648
RAL-MED-9a5eb9cb-9
0.636
LON-WEI-b8d98729-11
0.634
LON-WEI-b8d98729-27
0.630
LON-WEI-adc59df6-46
0.613
LON-WEI-adc59df6-42
0.611
JAN-GHE-d851b096-4
0.609
LON-WEI-adc59df6-33
0.600
NIM-NMI-8bb27a2b-25
0.600
LON-WEI-adc59df6-30
0.598
LON-WEI-b8d98729-44
0.596
LON-WEI-adc59df6-20
0.596
LON-WEI-adc59df6-5
0.589
WIL-UNI-a125ac6f-1
0.589
LON-WEI-adc59df6-3
0.588
LON-WEI-adc59df6-13
0.588
BRU-LEF-973da26b-1
0.587
LON-WEI-adc59df6-15
0.583
LON-WEI-adc59df6-37
0.583
LON-WEI-adc59df6-12
0.583
LON-WEI-b8d98729-21
0.577
LON-WEI-b8d98729-47
0.568
LON-WEI-adc59df6-9
0.567
LON-WEI-adc59df6-24
0.566
LON-WEI-b8d98729-12
0.562
LON-WEI-d1c9908a-11
0.562
ALP-POS-568d9d36-1
0.562
LON-WEI-adc59df6-43
0.560
LON-WEI-adc59df6-4
0.560
LON-WEI-8f408cad-8
0.557
RAL-MED-9a5eb9cb-10
0.557
NIM-NMI-8bb27a2b-28
0.557
LON-WEI-adc59df6-31
0.554
LON-WEI-adc59df6-34
0.551
LON-WEI-d1c9908a-10
0.551
LON-WEI-d1c9908a-5
0.551
LON-WEI-adc59df6-21
0.551
LON-WEI-adc59df6-44
0.549
LON-WEI-adc59df6-11
0.549
LON-WEI-adc59df6-18
0.546
LON-WEI-adc59df6-16
0.545
LON-WEI-d1c9908a-9
0.545
LON-WEI-adc59df6-17
0.543
LON-WEI-adc59df6-40
0.542
ERI-UCB-fbdd3ea1-4
0.538
RAL-MED-9a5eb9cb-12
0.538
LON-WEI-adc59df6-14
0.538
LON-WEI-adc59df6-29
0.538
LON-WEI-adc59df6-28
0.537
LON-WEI-adc59df6-39
0.536
NIM-NMI-8bb27a2b-26
0.535
LON-WEI-adc59df6-91
0.532
NIM-NMI-8bb27a2b-22
0.531
NIM-NMI-8bb27a2b-21
0.530
LON-WEI-adc59df6-45
0.529
LON-WEI-adc59df6-26
0.526
LON-WEI-adc59df6-35
0.526
LON-WEI-b8d98729-41
0.526
LON-WEI-adc59df6-36
0.526
LON-WEI-adc59df6-23
0.525
LON-WEI-b8d98729-39
0.525
LON-WEI-d1c9908a-3
0.525
ERI-UCB-fbdd3ea1-2
0.525
ERI-UCB-fbdd3ea1-1
0.525
LON-WEI-adc59df6-38
0.523
LON-WEI-adc59df6-82
0.521
NIM-NMI-8bb27a2b-16
0.521
LON-WEI-b8d98729-14
0.520
LON-WEI-adc59df6-8
0.515
LON-WEI-adc59df6-27
0.515
BRU-LEF-8bac3ce8-1
0.515
NIM-NMI-8bb27a2b-17
0.511
NIM-NMI-8bb27a2b-19
0.510
NIM-NMI-8bb27a2b-24
0.510
JAN-GHE-d851b096-9
0.510
LON-WEI-adc59df6-10
0.510
LON-WEI-adc59df6-2
0.510
LON-WEI-8f408cad-10
0.510
LON-WEI-d1c9908a-6
0.510
NIM-NMI-8bb27a2b-20
0.505
NIM-NMI-8bb27a2b-23
0.505
NIM-NMI-8bb27a2b-18
0.505
RAL-MED-9a5eb9cb-4
0.505
LON-WEI-b8d98729-17
0.505
BRU-LEF-e1854a6f-1
0.500
NIM-NMI-8bb27a2b-27
0.500
ALP-POS-02c6a514-56
0.500
LON-WEI-adc59df6-7
0.500
LON-WEI-b8d98729-37
0.500
RAL-MED-9a5eb9cb-5
0.495
LON-WEI-adc59df6-19
0.495
LON-WEI-adc59df6-47
0.495