Molecular Properties | |
SMILES: | C=CC(=O)N(c1ccc(NC(C)=O)cc1)[C@@H](C(=O)Nc1cccc(Cl)c1)c1cccnc1 |
MW: | 448.91 |
Fraction sp3: | 0.08 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 91.4 |
cLogP: | 4.5924 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
JAN-GHE-d851b096-9
0.762
LON-WEI-b8d98729-24
0.636
LON-WEI-adc59df6-46
0.622
LON-WEI-d1c9908a-2
0.615
LON-WEI-adc59df6-5
0.615
LON-WEI-b8d98729-22
0.615
LON-WEI-adc59df6-12
0.609
LON-WEI-adc59df6-15
0.609
LON-WEI-b8d98729-33
0.609
LON-WEI-adc59df6-24
0.589
BRU-LEF-973da26b-1
0.578
LON-WEI-d1c9908a-6
0.577
LON-WEI-b8d98729-11
0.574
RAL-MED-9a5eb9cb-9
0.573
LON-WEI-adc59df6-41
0.571
LON-WEI-b8d98729-17
0.571
LON-WEI-d1c9908a-7
0.565
LON-WEI-b8d98729-47
0.559
LON-WEI-adc59df6-11
0.556
LON-WEI-d1c9908a-11
0.553
RIT-AID-af4ac3d4-1
0.553
LON-WEI-b8d98729-12
0.553
LON-WEI-b8d98729-27
0.553
LON-WEI-adc59df6-4
0.551
LON-WEI-adc59df6-43
0.551
LON-WEI-b8d98729-35
0.547
LON-WEI-adc59df6-38
0.543
LON-WEI-adc59df6-33
0.542
NIM-NMI-8bb27a2b-25
0.542
LON-WEI-d1c9908a-5
0.542
LON-WEI-adc59df6-3
0.541
NIM-NMI-8bb27a2b-26
0.541
JAN-GHE-d851b096-8
0.533
LON-WEI-adc59df6-42
0.533
RAL-MED-9a5eb9cb-10
0.529
JAN-GHE-d851b096-3
0.527
LON-WEI-adc59df6-37
0.526
LON-WEI-b8d98729-44
0.525
NIM-NMI-8bb27a2b-27
0.520
LON-WEI-b8d98729-16
0.520
LON-WEI-adc59df6-9
0.510
LON-WEI-b8d98729-14
0.510
NIM-NMI-8bb27a2b-22
0.505
NIM-NMI-8bb27a2b-21
0.505
LON-WEI-adc59df6-13
0.505
LON-WEI-8f408cad-10
0.500
LON-WEI-8f408cad-8
0.494
LON-WEI-b8d98729-38
0.491
LON-WEI-b8d98729-21
0.490
LON-WEI-adc59df6-20
0.490
LON-WEI-adc59df6-44
0.489
LON-WEI-adc59df6-21
0.489
LON-WEI-adc59df6-80
0.484
LON-WEI-adc59df6-30
0.484
LON-WEI-d1c9908a-10
0.480
LON-WEI-adc59df6-14
0.479
LON-WEI-adc59df6-31
0.479
ERI-UCB-fbdd3ea1-4
0.478
RAL-MED-9a5eb9cb-12
0.478
LON-WEI-b8d98729-6
0.478
LON-WEI-b8d98729-7
0.478
LON-WEI-b8d98729-9
0.476
LON-WEI-adc59df6-16
0.475
LON-WEI-d1c9908a-9
0.475
LON-WEI-b8d98729-2
0.475
LON-WEI-adc59df6-18
0.475
BRU-LEF-8bac3ce8-1
0.474
LON-WEI-b8d98729-25
0.472
ERI-UCB-fbdd3ea1-1
0.471
ERI-UCB-fbdd3ea1-2
0.471
LON-WEI-b8d98729-39
0.471
LON-WEI-d1c9908a-3
0.471
LON-WEI-b8d98729-29
0.471
NIM-NMI-8bb27a2b-28
0.470
LON-WEI-b8d98729-19
0.470
LON-WEI-adc59df6-36
0.469
LON-WEI-b8d98729-41
0.469
LON-WEI-adc59df6-35
0.469
LON-WEI-adc59df6-95
0.469
LON-WEI-adc59df6-17
0.469
LON-WEI-d1c9908a-1
0.468
NIM-NMI-8bb27a2b-17
0.468
ALP-POS-568d9d36-1
0.467
LON-WEI-b8d98729-40
0.466
LON-WEI-adc59df6-34
0.465
LON-WEI-d1c9908a-12
0.465
LON-WEI-adc59df6-28
0.464
LON-WEI-adc59df6-29
0.463
LON-WEI-adc59df6-82
0.463
LON-WEI-b8d98729-10
0.463
LON-WEI-adc59df6-45
0.462
LON-WEI-d1c9908a-8
0.462
LON-WEI-b8d98729-8
0.462
LON-WEI-b8d98729-37
0.462
LON-WEI-b8d98729-28
0.462
LON-WEI-b8d98729-45
0.462
LON-WEI-adc59df6-8
0.459
LON-WEI-adc59df6-91
0.458
LON-WEI-d1c9908a-13
0.457
LON-WEI-adc59df6-47
0.456