Molecular Properties | |
SMILES: | CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cnccc2CNc2ccc(C#N)cn2)c1 |
MW: | 476.537 |
Fraction sp3: | 0.12 |
HBA: | 8 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 112.7 |
cLogP: | 3.52438 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Activated haloaromatics
AAR-POS-d2a4d1df-5
MAK-UNK-148caf23-19
0.686
MAK-UNK-148caf23-16
0.660
MAK-UNK-148caf23-17
0.650
MAK-UNK-148caf23-18
0.650
MAK-UNK-148caf23-14
0.587
MAK-UNK-148caf23-8
0.573
MAK-UNK-148caf23-20
0.559
MAK-UNK-148caf23-21
0.550
MAK-UNK-148caf23-22
0.541
MAK-UNK-148caf23-9
0.536
MAK-UNK-148caf23-7
0.535
MAK-UNK-148caf23-23
0.527
MAK-UNK-148caf23-12
0.500
MAK-UNK-148caf23-6
0.491
MAK-UNK-148caf23-1
0.487
MAK-UNK-148caf23-11
0.487
MAK-UNK-148caf23-10
0.479
MAK-UNK-de9577cf-16
0.475
MAK-UNK-8fdbca50-21
0.456
MAK-UNK-148caf23-4
0.454
MAK-UNK-9a6be56d-15
0.448
MAK-UNK-148caf23-5
0.445
MAK-UNK-148caf23-2
0.434
MAK-UNK-8fdbca50-6
0.431
MAK-UNK-148caf23-3
0.430
MAK-UNK-de9577cf-21
0.430
MAK-UNK-de9577cf-19
0.427
MAK-UNK-9a6be56d-19
0.400
MAK-UNK-8fdbca50-25
0.400
MAK-UNK-9a6be56d-17
0.398
MAK-UNK-de9577cf-17
0.398
MAK-UNK-de9577cf-20
0.395
MAK-UNK-148caf23-13
0.393
MAK-UNK-8fdbca50-10
0.391
MAK-UNK-9a6be56d-16
0.382
MAK-UNK-8fdbca50-23
0.380
MAK-UNK-8fdbca50-22
0.374
MAK-UNK-9a6be56d-5
0.374
MAK-UNK-de9577cf-22
0.373
MAK-UNK-de9577cf-1
0.371
MAK-UNK-30aad1f1-4
0.369
MAK-UNK-de9577cf-10
0.368
MAK-UNK-8fdbca50-8
0.363
MAK-UNK-9a6be56d-18
0.362
MAK-UNK-9a6be56d-26
0.358
MAK-UNK-8fdbca50-7
0.358
MAK-UNK-8fdbca50-24
0.357
MAK-UNK-8fdbca50-20
0.356
MAK-UNK-8fdbca50-33
0.356
MAK-UNK-9a6be56d-32
0.353
MAK-UNK-8fdbca50-40
0.353
MAK-UNK-9a6be56d-27
0.353
MAK-UNK-8fdbca50-9
0.351
MAK-UNK-9a6be56d-14
0.351
MAK-UNK-0955449e-7
0.350
MAK-UNK-8fdbca50-38
0.348
MAK-UNK-9a6be56d-28
0.348
MAK-UNK-de9577cf-5
0.346
MAK-UNK-0955449e-28
0.346
MAK-UNK-0955449e-6
0.346
MAK-UNK-8fdbca50-32
0.346
MAK-UNK-0955449e-9
0.345
MAK-UNK-de9577cf-2
0.344
MAK-UNK-8fdbca50-35
0.343
MAK-UNK-30aad1f1-1
0.342
MAK-UNK-0955449e-25
0.342
MAK-UNK-0955449e-32
0.342
MAK-UNK-9a6be56d-30
0.341
MAK-UNK-0955449e-13
0.340
MAK-UNK-9a6be56d-25
0.338
MAK-UNK-8fdbca50-5
0.338
MAK-UNK-8fdbca50-34
0.338
MAK-UNK-0955449e-3
0.336
MAK-UNK-8fdbca50-41
0.336
MAK-UNK-702fb7d3-2
0.336
MAK-UNK-9a6be56d-1
0.333
MAK-UNK-8fdbca50-16
0.333
MAK-UNK-702fb7d3-5
0.333
MAK-UNK-0955449e-11
0.333
MAK-UNK-9a6be56d-29
0.331
MAK-UNK-9a6be56d-31
0.331
MAK-UNK-de9577cf-11
0.331
MAK-UNK-8fdbca50-1
0.329
MAK-UNK-702fb7d3-7
0.329
MAK-UNK-702fb7d3-6
0.329
MAK-UNK-0955449e-5
0.328
MAK-UNK-30aad1f1-3
0.327
MAK-UNK-0955449e-26
0.327
MAK-UNK-0955449e-24
0.327
MAK-UNK-702fb7d3-1
0.326
MAK-UNK-702fb7d3-3
0.326
MAK-UNK-8fdbca50-37
0.326
MAK-UNK-8fdbca50-39
0.326
MAK-UNK-de9577cf-7
0.326
MAK-UNK-0955449e-33
0.325
MAK-UNK-0955449e-8
0.324
MAK-UNK-702fb7d3-14
0.324
MAK-UNK-de9577cf-4
0.323
MAK-UNK-702fb7d3-11
0.322
MAK-UNK-702fb7d3-12
0.322