Molecular Properties | |
SMILES: | C=CC(=O)N(C(C(=O)NC(C)(C)C)c1cccnc1)[C@@H]1C[C@H]1C1CCCCC1 |
MW: | 383.536 |
Fraction sp3: | 0.61 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 62.3 |
cLogP: | 4.0208 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Long aliphatic chain
AAR-POS-d2a4d1df-1
LON-WEI-adc59df6-69
0.616
LON-WEI-adc59df6-62
0.596
LON-WEI-adc59df6-63
0.596
LON-WEI-adc59df6-71
0.596
ERI-UCB-fbdd3ea1-19
0.563
ERI-UCB-fbdd3ea1-22
0.562
ERI-UCB-fbdd3ea1-21
0.556
LON-WEI-adc59df6-67
0.554
LON-WEI-adc59df6-96
0.551
ERI-UCB-fbdd3ea1-18
0.551
LON-WEI-adc59df6-93
0.551
LON-WEI-adc59df6-75
0.544
LON-WEI-adc59df6-97
0.544
LON-WEI-adc59df6-94
0.543
ERI-UCB-fbdd3ea1-23
0.537
LON-WEI-adc59df6-86
0.533
LON-WEI-adc59df6-99
0.527
LON-WEI-adc59df6-92
0.526
LON-WEI-adc59df6-89
0.521
ERI-UCB-fbdd3ea1-20
0.521
LON-WEI-adc59df6-90
0.510
LON-WEI-adc59df6-98
0.505
LON-WEI-adc59df6-72
0.495
LON-WEI-adc59df6-85
0.469
LON-WEI-b8d98729-7
0.462
LON-WEI-b8d98729-6
0.462
LON-WEI-8f408cad-8
0.462
LON-WEI-8f408cad-9
0.454
LON-WEI-adc59df6-95
0.454
LON-WEI-b8d98729-32
0.453
LON-WEI-d1c9908a-1
0.453
JAN-GHE-d851b096-8
0.453
LON-WEI-adc59df6-80
0.452
LON-WEI-adc59df6-68
0.450
LON-WEI-b8d98729-10
0.448
LON-WEI-adc59df6-73
0.448
RAL-MED-9a5eb9cb-12
0.447
ERI-UCB-fbdd3ea1-4
0.447
LON-WEI-adc59df6-70
0.447
ERI-UCB-fbdd3ea1-31
0.446
LON-WEI-adc59df6-101
0.443
ERI-UCB-fbdd3ea1-13
0.443
LON-WEI-adc59df6-83
0.441
ERI-UCB-fbdd3ea1-30
0.440
LON-WEI-adc59df6-74
0.439
LON-WEI-adc59df6-79
0.439
LON-WEI-adc59df6-81
0.436
RAL-MED-9a5eb9cb-8
0.434
LON-WEI-adc59df6-103
0.434
ERI-UCB-fbdd3ea1-17
0.434
LON-WEI-adc59df6-82
0.433
LON-WEI-adc59df6-84
0.430
LON-WEI-adc59df6-91
0.429
ERI-UCB-fbdd3ea1-15
0.429
LON-WEI-b8d98729-31
0.427
NIR-WEI-f9286bb6-2
0.427
LON-WEI-adc59df6-88
0.425
ERI-UCB-fbdd3ea1-11
0.423
LON-WEI-b8d98729-23
0.423
LON-WEI-adc59df6-76
0.422
LON-WEI-adc59df6-87
0.422
LON-WEI-adc59df6-102
0.421
LON-WEI-adc59df6-65
0.417
LON-WEI-adc59df6-100
0.417
LON-WEI-adc59df6-104
0.417
LON-WEI-adc59df6-8
0.416
LON-WEI-adc59df6-78
0.412
LON-WEI-adc59df6-66
0.410
ERI-UCB-fbdd3ea1-12
0.406
ERI-UCB-fbdd3ea1-16
0.402
ERI-UCB-fbdd3ea1-5
0.396
NIM-NMI-8bb27a2b-1
0.396
LON-WEI-adc59df6-35
0.396
LON-WEI-adc59df6-21
0.396
LON-WEI-adc59df6-77
0.394
LON-WEI-adc59df6-14
0.390
NIM-NMI-8bb27a2b-15
0.385
LON-WEI-adc59df6-44
0.384
RAL-MED-9a5eb9cb-14
0.378
ERI-UCB-fbdd3ea1-6
0.377
ERI-UCB-fbdd3ea1-14
0.373
ERI-UCB-fbdd3ea1-7
0.371
NIM-NMI-8bb27a2b-3
0.369
JAN-GHE-d851b096-7
0.367
RAL-MED-9a5eb9cb-15
0.365
LON-WEI-adc59df6-3
0.365
LON-WEI-adc59df6-22
0.358
NIM-UNI-bb9030bf-5
0.356
LON-WEI-adc59df6-39
0.355
NIM-NMI-8bb27a2b-17
0.353
LON-WEI-adc59df6-1
0.352
LON-WEI-adc59df6-32
0.351
RAL-MED-9a5eb9cb-6
0.351
LON-WEI-adc59df6-30
0.350
LON-WEI-adc59df6-31
0.350
ALP-POS-c59291d4-6
0.350
LON-WEI-adc59df6-6
0.348
ERI-UCB-fbdd3ea1-33
0.347
LON-WEI-adc59df6-10
0.346
NIM-NMI-8bb27a2b-4
0.346