Molecular Properties | |
SMILES: | C=CC(=O)N(C(C(=O)NC(C)(C)C)c1cccnc1)[C@H]1C[C@H](c2ccccc2C)C1 |
MW: | 405.542 |
Fraction sp3: | 0.4 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 62.3 |
cLogP: | 4.30662 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Long aliphatic chain
AAR-POS-d2a4d1df-1
LON-WEI-adc59df6-97
0.659
LON-WEI-adc59df6-75
0.640
ERI-UCB-fbdd3ea1-19
0.605
ERI-UCB-fbdd3ea1-18
0.591
ERI-UCB-fbdd3ea1-22
0.584
ERI-UCB-fbdd3ea1-21
0.578
LON-WEI-adc59df6-89
0.576
LON-WEI-adc59df6-86
0.571
LON-WEI-adc59df6-94
0.565
LON-WEI-adc59df6-67
0.559
ERI-UCB-fbdd3ea1-20
0.559
LON-WEI-adc59df6-93
0.556
LON-WEI-adc59df6-71
0.548
LON-WEI-adc59df6-62
0.548
LON-WEI-adc59df6-63
0.548
LON-WEI-adc59df6-92
0.547
ERI-UCB-fbdd3ea1-23
0.542
LON-WEI-adc59df6-69
0.533
LON-WEI-adc59df6-96
0.522
LON-WEI-adc59df6-99
0.516
LON-WEI-adc59df6-64
0.505
ERI-UCB-fbdd3ea1-15
0.479
LON-WEI-8f408cad-9
0.474
LON-WEI-adc59df6-90
0.471
RAL-MED-9a5eb9cb-12
0.468
ERI-UCB-fbdd3ea1-4
0.468
LON-WEI-adc59df6-72
0.468
LON-WEI-adc59df6-83
0.461
LON-WEI-d1c9908a-1
0.458
LON-WEI-adc59df6-70
0.453
LON-WEI-8f408cad-8
0.452
LON-WEI-adc59df6-101
0.449
LON-WEI-adc59df6-81
0.442
LON-WEI-adc59df6-80
0.442
LON-WEI-adc59df6-73
0.439
LON-WEI-b8d98729-7
0.438
LON-WEI-b8d98729-6
0.438
NIR-WEI-f9286bb6-2
0.433
LON-WEI-adc59df6-85
0.431
ERI-UCB-fbdd3ea1-30
0.431
LON-WEI-adc59df6-79
0.430
LON-WEI-adc59df6-95
0.430
LON-WEI-b8d98729-32
0.429
JAN-GHE-d851b096-8
0.429
LON-WEI-b8d98729-23
0.429
LON-WEI-adc59df6-103
0.426
ERI-UCB-fbdd3ea1-17
0.426
LON-WEI-b8d98729-10
0.424
LON-WEI-adc59df6-82
0.424
ERI-UCB-fbdd3ea1-16
0.422
LON-WEI-adc59df6-84
0.422
LON-WEI-adc59df6-91
0.420
LON-WEI-adc59df6-74
0.416
ERI-UCB-fbdd3ea1-11
0.414
LON-WEI-adc59df6-68
0.413
LON-WEI-adc59df6-76
0.413
LON-WEI-adc59df6-87
0.413
RAL-MED-9a5eb9cb-8
0.412
ERI-UCB-fbdd3ea1-12
0.412
LON-WEI-adc59df6-104
0.410
ERI-UCB-fbdd3ea1-31
0.410
ERI-UCB-fbdd3ea1-13
0.406
LON-WEI-adc59df6-78
0.404
LON-WEI-adc59df6-88
0.404
LON-WEI-adc59df6-66
0.402
LON-WEI-adc59df6-65
0.396
LON-WEI-adc59df6-100
0.396
LON-WEI-b8d98729-31
0.393
ERI-UCB-fbdd3ea1-14
0.391
LON-WEI-adc59df6-77
0.387
LON-WEI-adc59df6-102
0.387
NIM-NMI-8bb27a2b-22
0.368
RAL-MED-9a5eb9cb-10
0.364
LON-WEI-adc59df6-44
0.363
NIM-NMI-8bb27a2b-3
0.362
ERI-UCB-fbdd3ea1-32
0.360
LON-WEI-adc59df6-21
0.360
NIM-NMI-8bb27a2b-17
0.359
LON-WEI-adc59df6-3
0.357
LON-WEI-adc59df6-14
0.356
ERI-UCB-fbdd3ea1-33
0.353
ERI-UCB-fbdd3ea1-7
0.352
LON-WEI-adc59df6-10
0.352
LON-WEI-adc59df6-40
0.352
DAR-DIA-2b784ede-44
0.350
LON-WEI-adc59df6-35
0.349
NIM-NMI-8bb27a2b-24
0.349
NIM-NMI-8bb27a2b-23
0.349
NIM-NMI-8bb27a2b-6
0.349
NIM-NMI-8bb27a2b-20
0.349
NIM-NMI-8bb27a2b-10
0.348
NIM-NMI-8bb27a2b-21
0.348
NIR-WEI-f9286bb6-3
0.347
RAL-MED-9a5eb9cb-15
0.346
NIM-NMI-8bb27a2b-16
0.346
LON-WEI-adc59df6-1
0.345
ERI-UCB-fbdd3ea1-6
0.345
ERI-UCB-fbdd3ea1-2
0.345
ERI-UCB-fbdd3ea1-1
0.345
LON-WEI-b8d98729-39
0.345