Molecular Properties | |
SMILES: | C=CC(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)Nc1cccc(Cl)c1C)c1cccnc1 |
MW: | 461.993 |
Fraction sp3: | 0.22 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 62.3 |
cLogP: | 6.23992000000001 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-1
LON-WEI-adc59df6-42
0.790
LON-WEI-d1c9908a-9
0.759
LON-WEI-adc59df6-33
0.670
LON-WEI-adc59df6-18
0.667
LON-WEI-adc59df6-34
0.652
LON-WEI-adc59df6-3
0.646
LON-WEI-b8d98729-36
0.646
LON-WEI-adc59df6-16
0.645
LON-WEI-d1c9908a-3
0.638
LON-WEI-8f408cad-8
0.631
LON-WEI-d1c9908a-7
0.626
LON-WEI-adc59df6-21
0.624
LON-WEI-adc59df6-44
0.621
LON-WEI-d1c9908a-10
0.617
LON-WEI-adc59df6-30
0.616
LON-WEI-adc59df6-41
0.615
LON-WEI-adc59df6-46
0.613
LON-WEI-adc59df6-45
0.608
LON-WEI-adc59df6-14
0.607
LON-WEI-adc59df6-5
0.606
LON-WEI-d1c9908a-13
0.602
LON-WEI-d1c9908a-12
0.600
LON-WEI-adc59df6-12
0.600
LON-WEI-adc59df6-15
0.600
NIM-NMI-8bb27a2b-21
0.594
LON-WEI-adc59df6-35
0.593
LON-WEI-b8d98729-41
0.591
LON-WEI-adc59df6-31
0.589
LON-WEI-adc59df6-29
0.589
LON-WEI-adc59df6-37
0.583
LON-WEI-adc59df6-24
0.582
LON-WEI-adc59df6-8
0.581
LON-WEI-adc59df6-20
0.579
LON-WEI-adc59df6-17
0.576
LON-WEI-adc59df6-26
0.576
LON-WEI-adc59df6-4
0.576
LON-WEI-adc59df6-28
0.570
LON-WEI-adc59df6-39
0.568
LON-WEI-b8d98729-33
0.567
LON-WEI-adc59df6-11
0.564
LON-WEI-adc59df6-27
0.564
NIM-NMI-8bb27a2b-22
0.564
LON-WEI-adc59df6-1
0.562
LON-WEI-adc59df6-43
0.560
LON-WEI-adc59df6-40
0.558
LON-WEI-adc59df6-10
0.558
LON-WEI-adc59df6-36
0.558
LON-WEI-adc59df6-2
0.557
LON-WEI-adc59df6-22
0.551
BRU-LEF-8bac3ce8-1
0.547
RIT-AID-af4ac3d4-1
0.546
LON-WEI-adc59df6-7
0.545
LON-WEI-b8d98729-37
0.545
LON-WEI-adc59df6-13
0.543
LON-WEI-b8d98729-19
0.541
LON-WEI-adc59df6-23
0.541
LON-WEI-b8d98729-35
0.541
PAU-WEI-5b8d5051-1
0.540
LON-POS-586a7c45-1
0.540
LON-WEI-adc59df6-47
0.540
RAL-MED-9a5eb9cb-10
0.539
ERI-UCB-fbdd3ea1-4
0.538
RAL-MED-9a5eb9cb-12
0.538
LON-WEI-adc59df6-6
0.535
RAL-MED-9a5eb9cb-9
0.532
LON-WEI-b8d98729-27
0.531
LON-WEI-adc59df6-32
0.525
LON-WEI-adc59df6-19
0.525
ERI-UCB-fbdd3ea1-1
0.525
ERI-UCB-fbdd3ea1-2
0.525
LON-WEI-b8d98729-39
0.525
LON-WEI-adc59df6-38
0.523
LON-WEI-adc59df6-82
0.521
NIM-NMI-8bb27a2b-25
0.520
LON-WEI-adc59df6-25
0.520
LON-WEI-adc59df6-91
0.516
LON-WEI-d1c9908a-1
0.511
NIM-NMI-8bb27a2b-17
0.511
JAN-GHE-d851b096-4
0.510
LON-WEI-d1c9908a-2
0.510
LON-WEI-d1c9908a-4
0.505
LON-WEI-b8d98729-8
0.500
LON-WEI-b8d98729-22
0.495
LON-WEI-b8d98729-24
0.495
NIM-NMI-8bb27a2b-19
0.495
NIM-NMI-8bb27a2b-24
0.495
LON-WEI-adc59df6-80
0.495
LON-WEI-b8d98729-40
0.490
LON-WEI-d1c9908a-5
0.490
NIM-NMI-8bb27a2b-18
0.490
NIM-NMI-8bb27a2b-23
0.490
NIM-NMI-8bb27a2b-16
0.490
RAL-MED-9a5eb9cb-15
0.490
BRU-LEF-973da26b-1
0.490
LON-WEI-b8d98729-10
0.490
LON-WEI-b8d98729-6
0.489
LON-WEI-b8d98729-7
0.489
LON-WEI-b8d98729-28
0.486
LON-WEI-d1c9908a-8
0.486
LON-WEI-b8d98729-13
0.485