Molecular Properties | |
SMILES: | C=CC(=O)N(C(C(=O)NC(C)(C)C)c1cccnc1)[C@@H]1C[C@H]1c1ccccc1 |
MW: | 377.488 |
Fraction sp3: | 0.35 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 62.3 |
cLogP: | 3.6081 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Long aliphatic chain
AAR-POS-d2a4d1df-1
LON-WEI-adc59df6-62
1.000
LON-WEI-adc59df6-63
1.000
LON-WEI-adc59df6-69
0.631
LON-WEI-adc59df6-64
0.596
LON-WEI-adc59df6-93
0.563
ERI-UCB-fbdd3ea1-19
0.558
LON-WEI-adc59df6-75
0.557
LON-WEI-adc59df6-97
0.557
ERI-UCB-fbdd3ea1-21
0.551
LON-WEI-adc59df6-98
0.548
ERI-UCB-fbdd3ea1-18
0.545
LON-WEI-adc59df6-96
0.545
LON-WEI-adc59df6-86
0.544
LON-WEI-adc59df6-99
0.539
ERI-UCB-fbdd3ea1-22
0.539
LON-WEI-adc59df6-89
0.533
LON-WEI-adc59df6-94
0.522
LON-WEI-adc59df6-67
0.516
ERI-UCB-fbdd3ea1-20
0.516
LON-WEI-8f408cad-9
0.511
LON-WEI-adc59df6-92
0.505
ERI-UCB-fbdd3ea1-23
0.500
LON-WEI-adc59df6-90
0.490
LON-WEI-adc59df6-72
0.489
LON-WEI-8f408cad-8
0.472
NIR-WEI-f9286bb6-2
0.467
LON-WEI-d1c9908a-1
0.462
JAN-GHE-d851b096-8
0.462
LON-WEI-adc59df6-80
0.462
LON-WEI-adc59df6-73
0.457
LON-WEI-adc59df6-70
0.457
LON-WEI-b8d98729-6
0.457
LON-WEI-b8d98729-7
0.457
RAL-MED-9a5eb9cb-12
0.457
ERI-UCB-fbdd3ea1-4
0.457
ERI-UCB-fbdd3ea1-31
0.455
ERI-UCB-fbdd3ea1-15
0.453
LON-WEI-adc59df6-83
0.450
ERI-UCB-fbdd3ea1-30
0.449
LON-WEI-adc59df6-85
0.449
LON-WEI-adc59df6-95
0.448
LON-WEI-adc59df6-79
0.448
LON-WEI-b8d98729-23
0.447
LON-WEI-b8d98729-32
0.447
LON-WEI-adc59df6-81
0.446
LON-WEI-adc59df6-68
0.444
ERI-UCB-fbdd3ea1-17
0.443
LON-WEI-adc59df6-103
0.443
LON-WEI-adc59df6-82
0.442
LON-WEI-b8d98729-10
0.442
LON-WEI-adc59df6-100
0.440
LON-WEI-adc59df6-84
0.439
LON-WEI-adc59df6-101
0.438
LON-WEI-adc59df6-91
0.438
LON-WEI-adc59df6-74
0.433
LON-WEI-adc59df6-88
0.433
ERI-UCB-fbdd3ea1-11
0.432
LON-WEI-adc59df6-76
0.430
LON-WEI-adc59df6-104
0.426
LON-WEI-adc59df6-65
0.426
ERI-UCB-fbdd3ea1-16
0.424
ERI-UCB-fbdd3ea1-13
0.423
LON-WEI-b8d98729-31
0.422
LON-WEI-adc59df6-78
0.420
ERI-UCB-fbdd3ea1-14
0.419
LON-WEI-adc59df6-66
0.417
LON-WEI-adc59df6-87
0.416
LON-WEI-adc59df6-77
0.415
LON-WEI-adc59df6-102
0.415
ERI-UCB-fbdd3ea1-12
0.414
ERI-UCB-fbdd3ea1-32
0.400
LON-WEI-adc59df6-40
0.392
NIM-NMI-8bb27a2b-10
0.387
RAL-MED-9a5eb9cb-8
0.386
LON-WEI-adc59df6-44
0.378
NIM-NMI-8bb27a2b-3
0.376
LON-WEI-adc59df6-21
0.375
NIR-WEI-f9286bb6-3
0.375
LON-WEI-adc59df6-3
0.372
LON-WEI-adc59df6-14
0.370
ERI-UCB-fbdd3ea1-33
0.367
ERI-UCB-fbdd3ea1-7
0.365
LON-WEI-adc59df6-10
0.365
LON-WEI-adc59df6-35
0.363
LON-WEI-adc59df6-42
0.363
NIM-NMI-8bb27a2b-20
0.362
LON-WEI-b8d98729-13
0.361
LON-WEI-adc59df6-20
0.358
LON-WEI-adc59df6-1
0.358
ERI-UCB-fbdd3ea1-6
0.358
LON-WEI-adc59df6-30
0.357
RAL-MED-9a5eb9cb-14
0.357
ALP-POS-c59291d4-6
0.356
LON-WEI-adc59df6-8
0.356
LON-WEI-adc59df6-6
0.355
NIM-NMI-8bb27a2b-13
0.355
RAL-MED-9a5eb9cb-9
0.353
NIM-NMI-8bb27a2b-4
0.352
LON-WEI-adc59df6-36
0.352
LON-WEI-b8d98729-11
0.352