Molecular Properties | |
SMILES: | CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccc(CNc3ccc(C#N)cn3)c2)c1 |
MW: | 475.549 |
Fraction sp3: | 0.12 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 99.81 |
cLogP: | 4.12938 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Activated haloaromatics
AAR-POS-d2a4d1df-5
MAK-UNK-148caf23-16
0.745
MAK-UNK-148caf23-17
0.700
MAK-UNK-148caf23-15
0.650
MAK-UNK-148caf23-19
0.638
MAK-UNK-148caf23-21
0.623
MAK-UNK-148caf23-22
0.613
MAK-UNK-148caf23-14
0.573
MAK-UNK-148caf23-8
0.573
MAK-UNK-148caf23-20
0.559
MAK-UNK-148caf23-7
0.549
MAK-UNK-148caf23-9
0.536
MAK-UNK-148caf23-23
0.527
MAK-UNK-148caf23-6
0.504
MAK-UNK-148caf23-1
0.500
MAK-UNK-148caf23-12
0.487
MAK-UNK-148caf23-4
0.479
MAK-UNK-148caf23-10
0.479
MAK-UNK-de9577cf-19
0.478
MAK-UNK-148caf23-11
0.474
MAK-UNK-148caf23-2
0.471
MAK-UNK-148caf23-5
0.470
MAK-UNK-de9577cf-20
0.469
MAK-UNK-148caf23-3
0.454
MAK-UNK-9a6be56d-18
0.451
MAK-UNK-8fdbca50-24
0.434
MAK-UNK-de9577cf-17
0.433
MAK-UNK-9a6be56d-17
0.432
MAK-UNK-de9577cf-21
0.430
MAK-UNK-de9577cf-16
0.415
MAK-UNK-8fdbca50-9
0.414
MAK-UNK-8fdbca50-23
0.413
MAK-UNK-8fdbca50-8
0.405
MAK-UNK-9a6be56d-15
0.403
MAK-UNK-9a6be56d-16
0.403
MAK-UNK-8fdbca50-22
0.395
MAK-UNK-9a6be56d-27
0.385
MAK-UNK-148caf23-13
0.382
MAK-UNK-9a6be56d-19
0.379
MAK-UNK-9a6be56d-26
0.379
MAK-UNK-8fdbca50-7
0.378
MAK-UNK-de9577cf-1
0.371
MAK-UNK-8fdbca50-21
0.368
MAK-UNK-9a6be56d-28
0.368
MAK-UNK-8fdbca50-25
0.368
MAK-UNK-0955449e-13
0.366
MAK-UNK-8fdbca50-33
0.366
MAK-UNK-8fdbca50-40
0.364
MAK-UNK-de9577cf-22
0.362
MAK-UNK-8fdbca50-10
0.360
MAK-UNK-8fdbca50-6
0.358
MAK-UNK-de9577cf-10
0.357
MAK-UNK-de9577cf-2
0.355
MAK-UNK-702fb7d3-2
0.355
MAK-UNK-0955449e-32
0.353
MAK-UNK-9a6be56d-32
0.353
MAK-UNK-9a6be56d-5
0.353
MAK-UNK-9a6be56d-14
0.351
MAK-UNK-9a6be56d-29
0.351
MAK-UNK-9a6be56d-30
0.351
MAK-UNK-0955449e-7
0.350
MAK-UNK-8fdbca50-38
0.348
MAK-UNK-8fdbca50-34
0.348
MAK-UNK-9a6be56d-25
0.348
MAK-UNK-de9577cf-6
0.346
MAK-UNK-de9577cf-7
0.346
MAK-UNK-8fdbca50-20
0.346
MAK-UNK-8fdbca50-41
0.346
MAK-UNK-702fb7d3-3
0.345
MAK-UNK-702fb7d3-9
0.345
MAK-UNK-8fdbca50-35
0.343
MAK-UNK-702fb7d3-14
0.343
MAK-UNK-702fb7d3-13
0.343
MAK-UNK-30aad1f1-6
0.342
MAK-UNK-9a6be56d-31
0.341
MAK-UNK-702fb7d3-12
0.340
MAK-UNK-702fb7d3-11
0.340
MAK-UNK-702fb7d3-4
0.338
MAK-UNK-702fb7d3-6
0.338
MAK-UNK-702fb7d3-8
0.338
MAK-UNK-8fdbca50-39
0.336
MAK-UNK-8fdbca50-32
0.336
MAK-UNK-702fb7d3-10
0.336
MAK-UNK-de9577cf-8
0.333
MAK-UNK-702fb7d3-5
0.333
MAK-UNK-9a6be56d-1
0.333
MAK-UNK-8fdbca50-16
0.333
MAK-UNK-0955449e-11
0.333
MAK-UNK-0955449e-28
0.333
MAK-UNK-de9577cf-11
0.331
MAK-UNK-8fdbca50-5
0.329
MAK-UNK-8fdbca50-1
0.329
MAK-UNK-702fb7d3-7
0.329
MAK-UNK-9a6be56d-3
0.328
MAK-UNK-0955449e-16
0.328
MAK-UNK-30aad1f1-3
0.327
MAK-UNK-0955449e-26
0.327
MAK-UNK-0955449e-24
0.327
MAK-UNK-8fdbca50-36
0.326
MAK-UNK-8fdbca50-37
0.326
MAK-UNK-702fb7d3-1
0.326