Molecular Properties | |
SMILES: | C=CC(=O)N(c1cnc(OC)c(C#N)c1)C(C(=O)NC(C)(C)C)c1cccnc1 |
MW: | 393.447 |
Fraction sp3: | 0.29 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 108.21 |
cLogP: | 2.53188 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Long aliphatic chain
AAR-POS-d2a4d1df-1
LON-WEI-adc59df6-84
0.726
LON-WEI-adc59df6-74
0.607
LON-WEI-adc59df6-70
0.605
LON-WEI-adc59df6-82
0.602
LON-WEI-b8d98729-32
0.591
JAN-GHE-d851b096-8
0.591
LON-WEI-8f408cad-8
0.588
LON-WEI-b8d98729-6
0.586
LON-WEI-b8d98729-10
0.584
LON-WEI-adc59df6-103
0.582
LON-WEI-adc59df6-80
0.575
LON-WEI-adc59df6-78
0.570
RAL-MED-9a5eb9cb-12
0.568
ERI-UCB-fbdd3ea1-4
0.568
LON-WEI-b8d98729-7
0.568
LON-WEI-adc59df6-73
0.567
LON-WEI-adc59df6-87
0.564
LON-WEI-adc59df6-101
0.560
LON-WEI-d1c9908a-1
0.556
LON-WEI-8f408cad-9
0.554
LON-WEI-adc59df6-79
0.554
LON-WEI-adc59df6-91
0.543
LON-WEI-adc59df6-100
0.542
ERI-UCB-fbdd3ea1-11
0.538
LON-WEI-adc59df6-95
0.538
LON-WEI-b8d98729-31
0.536
LON-WEI-adc59df6-68
0.531
ERI-UCB-fbdd3ea1-13
0.527
LON-WEI-adc59df6-104
0.526
LON-WEI-adc59df6-81
0.522
LON-WEI-adc59df6-85
0.521
ERI-UCB-fbdd3ea1-12
0.516
LON-WEI-adc59df6-102
0.510
LON-WEI-b8d98729-23
0.505
LON-WEI-adc59df6-83
0.505
LON-WEI-adc59df6-88
0.500
ERI-UCB-fbdd3ea1-15
0.495
ERI-UCB-fbdd3ea1-17
0.485
ERI-UCB-fbdd3ea1-16
0.480
ERI-UCB-fbdd3ea1-30
0.475
ERI-UCB-fbdd3ea1-14
0.471
ERI-UCB-fbdd3ea1-31
0.465
LON-WEI-adc59df6-58
0.463
LON-WEI-adc59df6-3
0.462
LON-WEI-adc59df6-12
0.456
LON-WEI-adc59df6-77
0.453
LON-WEI-adc59df6-72
0.453
LON-WEI-adc59df6-21
0.447
LON-WEI-d1c9908a-7
0.446
LON-WEI-adc59df6-26
0.444
LON-WEI-adc59df6-35
0.444
NIM-NMI-8bb27a2b-19
0.444
LON-WEI-adc59df6-24
0.443
LON-WEI-adc59df6-66
0.442
LON-WEI-adc59df6-37
0.442
LON-WEI-adc59df6-30
0.442
LON-WEI-adc59df6-14
0.439
LON-WEI-adc59df6-29
0.439
LON-WEI-adc59df6-97
0.439
LON-WEI-adc59df6-99
0.439
ERI-UCB-fbdd3ea1-19
0.438
RIT-AID-af4ac3d4-1
0.437
LON-WEI-adc59df6-18
0.437
RAL-MED-9a5eb9cb-10
0.436
ERI-UCB-fbdd3ea1-20
0.436
LON-WEI-adc59df6-27
0.436
LON-WEI-adc59df6-57
0.434
LON-WEI-d1c9908a-3
0.434
LON-WEI-adc59df6-44
0.433
NIR-WEI-f9286bb6-2
0.433
LON-WEI-adc59df6-5
0.433
LON-WEI-adc59df6-96
0.429
LON-WEI-adc59df6-93
0.429
ERI-UCB-fbdd3ea1-18
0.429
LON-WEI-adc59df6-76
0.427
LON-WEI-adc59df6-92
0.427
NIM-NMI-8bb27a2b-23
0.427
LON-WEI-b8d98729-47
0.427
LON-WEI-adc59df6-45
0.426
LON-WEI-adc59df6-71
0.426
LON-WEI-adc59df6-94
0.426
LON-WEI-adc59df6-62
0.426
LON-WEI-adc59df6-63
0.426
BRU-LEF-973da26b-1
0.426
LON-WEI-adc59df6-69
0.424
LON-WEI-adc59df6-75
0.424
ERI-UCB-fbdd3ea1-22
0.424
LON-WEI-adc59df6-31
0.424
LON-WEI-adc59df6-1
0.423
LON-WEI-adc59df6-46
0.423
ERI-UCB-fbdd3ea1-23
0.423
LON-WEI-b8d98729-12
0.423
LON-WEI-b8d98729-27
0.423
LON-WEI-b8d98729-26
0.422
LON-WEI-adc59df6-41
0.422
LON-WEI-adc59df6-89
0.422
LON-WEI-adc59df6-8
0.422
ERI-UCB-fbdd3ea1-21
0.420
LON-WEI-adc59df6-10
0.417
LON-WEI-adc59df6-64
0.417