Molecular Properties | |
SMILES: | CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cncc(N(C(=O)C3CCN(C(=O)CCl)CC3)C(C)C)c2)c1 |
MW: | 590.121 |
Fraction sp3: | 0.39 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 9 |
TPSA: | 104.61 |
cLogP: | 3.8644 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Activated haloaromatics
AAR-POS-d2a4d1df-5
MAK-UNK-8fdbca50-24
0.762
MAK-UNK-8fdbca50-23
0.725
MAK-UNK-8fdbca50-7
0.719
MAK-UNK-8fdbca50-21
0.670
MAK-UNK-8fdbca50-9
0.647
MAK-UNK-8fdbca50-28
0.647
MAK-UNK-8fdbca50-8
0.644
MAK-UNK-8fdbca50-25
0.641
MAK-UNK-8fdbca50-30
0.629
MAK-UNK-8fdbca50-20
0.608
MAK-UNK-8fdbca50-6
0.607
MAK-UNK-8fdbca50-27
0.605
MAK-UNK-8fdbca50-5
0.593
MAK-UNK-8fdbca50-16
0.590
MAK-UNK-8fdbca50-10
0.585
MAK-UNK-8fdbca50-17
0.583
MAK-UNK-8fdbca50-1
0.581
MAK-UNK-8fdbca50-40
0.570
MAK-UNK-8fdbca50-41
0.569
MAK-UNK-8fdbca50-39
0.556
MAK-UNK-8fdbca50-2
0.553
MAK-UNK-8fdbca50-13
0.548
MAK-UNK-8fdbca50-18
0.545
MAK-UNK-8fdbca50-14
0.544
MAK-UNK-8fdbca50-31
0.544
MAK-UNK-8fdbca50-12
0.539
MAK-UNK-8fdbca50-32
0.532
MAK-UNK-8fdbca50-26
0.532
MAK-UNK-8fdbca50-3
0.520
MAK-UNK-8fdbca50-11
0.519
MAK-UNK-8fdbca50-37
0.515
MAK-UNK-8fdbca50-34
0.508
MAK-UNK-8fdbca50-38
0.500
MAK-UNK-8fdbca50-33
0.496
MAK-UNK-8fdbca50-36
0.481
MAK-UNK-8fdbca50-15
0.481
MAK-UNK-de9577cf-17
0.480
MAK-UNK-148caf23-16
0.472
MAK-UNK-8fdbca50-35
0.470
MAK-UNK-8fdbca50-19
0.450
MAK-UNK-9a6be56d-16
0.447
MAK-UNK-8fdbca50-4
0.430
MAK-UNK-702fb7d3-9
0.428
MAK-UNK-de9577cf-19
0.427
MAK-UNK-702fb7d3-6
0.420
MAK-UNK-de9577cf-20
0.419
MAK-UNK-702fb7d3-8
0.418
MAK-UNK-de9577cf-16
0.415
MAK-UNK-702fb7d3-14
0.414
MAK-UNK-702fb7d3-11
0.411
MAK-UNK-702fb7d3-12
0.411
MAK-UNK-702fb7d3-5
0.407
MAK-UNK-702fb7d3-10
0.406
MAK-UNK-702fb7d3-13
0.403
MAK-UNK-702fb7d3-4
0.400
MAK-UNK-148caf23-17
0.395
MAK-UNK-148caf23-18
0.395
MAK-UNK-702fb7d3-7
0.390
MAK-UNK-9a6be56d-17
0.390
MAK-UNK-de9577cf-21
0.386
MAK-UNK-702fb7d3-1
0.378
MAK-UNK-de9577cf-22
0.376
MAK-UNK-9a6be56d-18
0.375
MAK-UNK-9a6be56d-15
0.374
MAK-UNK-9a6be56d-29
0.374
MAK-UNK-de9577cf-1
0.374
MAK-UNK-148caf23-15
0.374
MAK-UNK-9a6be56d-26
0.371
MAK-UNK-148caf23-7
0.370
MAK-UNK-148caf23-5
0.368
MAK-UNK-148caf23-19
0.368
MAK-UNK-702fb7d3-3
0.368
MAK-UNK-702fb7d3-2
0.368
MAK-UNK-0955449e-15
0.368
MAK-UNK-9a6be56d-5
0.367
MAK-UNK-de9577cf-11
0.366
MAK-UNK-148caf23-4
0.366
MAK-UNK-148caf23-6
0.366
MAK-UNK-9a6be56d-14
0.364
MAK-UNK-9a6be56d-31
0.364
MAK-UNK-702fb7d3-17
0.364
MAK-UNK-9a6be56d-25
0.361
MAK-UNK-de9577cf-10
0.361
MAK-UNK-148caf23-2
0.360
MAK-UNK-de9577cf-2
0.359
MAK-UNK-9a6be56d-27
0.357
MAK-UNK-9a6be56d-32
0.357
MAK-UNK-148caf23-3
0.356
MAK-UNK-148caf23-8
0.356
MAK-UNK-148caf23-14
0.356
MAK-UNK-9a6be56d-30
0.355
MAK-UNK-702fb7d3-19
0.354
MAK-UNK-9a6be56d-19
0.352
MAK-UNK-9a6be56d-28
0.352
MAK-UNK-de9577cf-7
0.351
MAK-UNK-702fb7d3-18
0.349
MAK-UNK-148caf23-1
0.343
MAK-UNK-9a6be56d-3
0.343
LON-WEI-120e5cf5-5
0.340
MAK-UNK-de9577cf-4
0.338