Molecular Properties | |
SMILES: | C=CC(=O)N(C(C(=O)NC(C)(C)C)c1cccnc1)[C@@H]1C[C@H]1CC(C)(C)C |
MW: | 371.525 |
Fraction sp3: | 0.59 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 62.3 |
cLogP: | 3.8767 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Long aliphatic chain
AAR-POS-d2a4d1df-1
LON-WEI-adc59df6-71
0.631
LON-WEI-adc59df6-62
0.631
LON-WEI-adc59df6-63
0.631
LON-WEI-adc59df6-64
0.616
LON-WEI-adc59df6-75
0.595
LON-WEI-adc59df6-97
0.595
LON-WEI-adc59df6-93
0.583
ERI-UCB-fbdd3ea1-19
0.578
LON-WEI-adc59df6-99
0.576
ERI-UCB-fbdd3ea1-21
0.570
LON-WEI-adc59df6-96
0.565
ERI-UCB-fbdd3ea1-18
0.565
ERI-UCB-fbdd3ea1-22
0.558
LON-WEI-adc59df6-94
0.557
ERI-UCB-fbdd3ea1-20
0.551
LON-WEI-adc59df6-89
0.551
LON-WEI-adc59df6-86
0.545
LON-WEI-adc59df6-72
0.541
LON-WEI-adc59df6-67
0.533
LON-WEI-adc59df6-98
0.533
LON-WEI-adc59df6-92
0.522
ERI-UCB-fbdd3ea1-23
0.516
LON-WEI-adc59df6-90
0.505
LON-WEI-adc59df6-85
0.495
LON-WEI-8f408cad-9
0.495
LON-WEI-adc59df6-73
0.489
LON-WEI-adc59df6-70
0.489
LON-WEI-8f408cad-8
0.488
LON-WEI-adc59df6-79
0.478
JAN-GHE-d851b096-8
0.478
LON-WEI-d1c9908a-1
0.478
LON-WEI-adc59df6-80
0.477
LON-WEI-adc59df6-68
0.474
LON-WEI-adc59df6-76
0.474
LON-WEI-adc59df6-103
0.473
LON-WEI-b8d98729-6
0.472
LON-WEI-b8d98729-7
0.472
RAL-MED-9a5eb9cb-12
0.472
ERI-UCB-fbdd3ea1-4
0.472
LON-WEI-adc59df6-91
0.467
NIR-WEI-f9286bb6-2
0.467
LON-WEI-adc59df6-95
0.462
LON-WEI-b8d98729-32
0.462
LON-WEI-adc59df6-81
0.461
LON-WEI-adc59df6-66
0.459
ERI-UCB-fbdd3ea1-17
0.457
LON-WEI-b8d98729-10
0.457
LON-WEI-adc59df6-82
0.457
LON-WEI-adc59df6-104
0.454
ERI-UCB-fbdd3ea1-31
0.454
LON-WEI-adc59df6-101
0.452
ERI-UCB-fbdd3ea1-15
0.452
LON-WEI-adc59df6-83
0.449
LON-WEI-adc59df6-78
0.448
ERI-UCB-fbdd3ea1-30
0.448
LON-WEI-adc59df6-74
0.447
LON-WEI-b8d98729-23
0.446
ERI-UCB-fbdd3ea1-11
0.446
LON-WEI-adc59df6-88
0.446
LON-WEI-adc59df6-87
0.443
ERI-UCB-fbdd3ea1-12
0.442
LON-WEI-adc59df6-100
0.439
LON-WEI-adc59df6-84
0.438
ERI-UCB-fbdd3ea1-16
0.438
ERI-UCB-fbdd3ea1-13
0.436
LON-WEI-b8d98729-31
0.434
LON-WEI-adc59df6-102
0.427
LON-WEI-adc59df6-65
0.424
LON-WEI-adc59df6-44
0.404
ERI-UCB-fbdd3ea1-14
0.404
LON-WEI-adc59df6-77
0.400
RAL-MED-9a5eb9cb-8
0.398
NIM-NMI-8bb27a2b-3
0.388
LON-WEI-adc59df6-21
0.387
LON-WEI-adc59df6-3
0.385
LON-WEI-adc59df6-30
0.383
LON-WEI-adc59df6-14
0.381
LON-WEI-adc59df6-27
0.380
LON-WEI-adc59df6-10
0.376
LON-WEI-adc59df6-36
0.376
LON-WEI-adc59df6-35
0.374
NIR-WEI-f9286bb6-3
0.372
NIM-NMI-8bb27a2b-17
0.371
LON-WEI-adc59df6-1
0.369
RAL-MED-9a5eb9cb-14
0.368
LON-WEI-adc59df6-19
0.368
LON-WEI-adc59df6-29
0.367
LON-WEI-adc59df6-31
0.367
ALP-POS-c59291d4-6
0.367
LON-WEI-adc59df6-8
0.366
ERI-UCB-fbdd3ea1-33
0.365
LON-WEI-adc59df6-6
0.364
LON-WEI-adc59df6-40
0.363
ERI-UCB-fbdd3ea1-7
0.363
RAL-MED-9a5eb9cb-10
0.362
LON-WEI-adc59df6-26
0.360
LON-WEI-adc59df6-17
0.360
LON-WEI-adc59df6-39
0.359
NIM-NMI-8bb27a2b-2
0.359
NIM-NMI-8bb27a2b-16
0.356