Molecular Properties | |
SMILES: | C=CC(=O)N(c1cccc(Cl)c1)C(C(=O)NC(C)(C)C)c1cccnc1 |
MW: | 371.868 |
Fraction sp3: | 0.25 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 62.3 |
cLogP: | 3.91 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Long aliphatic chain
LON-WEI-adc59df6-103
0.700
JAN-GHE-d851b096-9
0.688
LON-WEI-adc59df6-100
0.667
LON-WEI-adc59df6-70
0.667
LON-WEI-adc59df6-73
0.662
LON-WEI-8f408cad-8
0.649
LON-WEI-8f408cad-9
0.646
LON-WEI-adc59df6-79
0.646
LON-WEI-adc59df6-80
0.633
LON-WEI-b8d98729-32
0.630
LON-WEI-adc59df6-74
0.627
LON-WEI-b8d98729-6
0.625
LON-WEI-b8d98729-7
0.625
RAL-MED-9a5eb9cb-12
0.625
ERI-UCB-fbdd3ea1-4
0.625
LON-WEI-adc59df6-68
0.616
LON-WEI-adc59df6-101
0.614
LON-WEI-adc59df6-84
0.612
LON-WEI-d1c9908a-1
0.610
LON-WEI-adc59df6-104
0.609
LON-WEI-adc59df6-102
0.604
LON-WEI-b8d98729-10
0.602
LON-WEI-adc59df6-82
0.602
LON-WEI-b8d98729-31
0.602
LON-WEI-adc59df6-91
0.595
LON-WEI-adc59df6-88
0.593
LON-WEI-adc59df6-65
0.591
LON-WEI-adc59df6-95
0.588
LON-WEI-adc59df6-78
0.568
LON-WEI-adc59df6-85
0.568
LON-WEI-adc59df6-87
0.562
LON-WEI-adc59df6-81
0.554
ERI-UCB-fbdd3ea1-11
0.553
LON-WEI-b8d98729-23
0.553
LON-WEI-adc59df6-83
0.549
ERI-UCB-fbdd3ea1-12
0.545
ERI-UCB-fbdd3ea1-15
0.540
ERI-UCB-fbdd3ea1-13
0.540
JAN-GHE-d851b096-4
0.533
ERI-UCB-fbdd3ea1-17
0.528
ERI-UCB-fbdd3ea1-16
0.522
ERI-UCB-fbdd3ea1-30
0.516
ERI-UCB-fbdd3ea1-14
0.510
LON-WEI-adc59df6-3
0.506
NIR-WEI-f9286bb6-2
0.506
ERI-UCB-fbdd3ea1-31
0.505
LON-WEI-adc59df6-33
0.495
LON-WEI-adc59df6-72
0.494
NIM-NMI-8bb27a2b-27
0.490
LON-WEI-adc59df6-21
0.488
LON-WEI-adc59df6-42
0.484
LON-WEI-adc59df6-30
0.483
LON-WEI-adc59df6-53
0.483
LON-WEI-b8d98729-11
0.479
LON-WEI-adc59df6-69
0.478
LON-WEI-adc59df6-31
0.478
LON-WEI-adc59df6-75
0.478
ERI-UCB-fbdd3ea1-19
0.477
RAL-MED-9a5eb9cb-10
0.477
LON-WEI-adc59df6-77
0.475
LON-WEI-adc59df6-20
0.474
ERI-UCB-fbdd3ea1-21
0.473
LON-WEI-adc59df6-44
0.472
LON-WEI-adc59df6-17
0.467
LON-WEI-adc59df6-35
0.467
ERI-UCB-fbdd3ea1-18
0.467
LON-WEI-adc59df6-93
0.467
LON-WEI-adc59df6-96
0.467
LON-WEI-adc59df6-9
0.464
LON-WEI-b8d98729-33
0.464
LON-WEI-adc59df6-62
0.462
LON-WEI-adc59df6-63
0.462
LON-WEI-adc59df6-71
0.462
LON-WEI-adc59df6-94
0.462
ERI-UCB-fbdd3ea1-22
0.462
LON-WEI-adc59df6-97
0.462
LON-WEI-adc59df6-14
0.462
LON-WEI-adc59df6-29
0.462
LON-WEI-adc59df6-99
0.462
NIM-NMI-8bb27a2b-14
0.461
LON-WEI-adc59df6-60
0.461
LON-WEI-adc59df6-46
0.458
LON-WEI-adc59df6-41
0.457
LON-WEI-d1c9908a-2
0.454
LON-WEI-adc59df6-5
0.454
LON-WEI-adc59df6-10
0.453
LON-WEI-b8d98729-24
0.453
LON-WEI-adc59df6-64
0.453
LON-WEI-adc59df6-26
0.452
NIM-NMI-8bb27a2b-24
0.452
LON-WEI-adc59df6-86
0.452
LON-WEI-adc59df6-90
0.450
LON-WEI-adc59df6-12
0.449
LON-WEI-adc59df6-15
0.449
LON-WEI-adc59df6-66
0.449
LON-WEI-adc59df6-92
0.448
RIT-AID-a497c99f-1
0.447
LON-WEI-adc59df6-28
0.447
ALP-POS-c59291d4-6
0.446
ERI-UCB-fbdd3ea1-33
0.444