Molecular Properties | |
SMILES: | CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2CNc2ccc(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-148caf23-15
0.686
MAK-UNK-148caf23-17
0.638
MAK-UNK-148caf23-18
0.638
MAK-UNK-148caf23-16
0.632
MAK-UNK-148caf23-14
0.562
MAK-UNK-148caf23-8
0.535
MAK-UNK-148caf23-21
0.526
MAK-UNK-148caf23-22
0.518
MAK-UNK-148caf23-7
0.513
MAK-UNK-148caf23-20
0.509
MAK-UNK-148caf23-9
0.500
MAK-UNK-148caf23-23
0.479
MAK-UNK-de9577cf-21
0.471
MAK-UNK-148caf23-6
0.471
MAK-UNK-148caf23-1
0.467
MAK-UNK-148caf23-12
0.466
MAK-UNK-148caf23-10
0.458
MAK-UNK-148caf23-11
0.453
MAK-UNK-8fdbca50-25
0.449
MAK-UNK-9a6be56d-19
0.438
MAK-UNK-148caf23-4
0.434
MAK-UNK-de9577cf-19
0.432
MAK-UNK-8fdbca50-10
0.427
MAK-UNK-148caf23-5
0.426
MAK-UNK-de9577cf-16
0.419
MAK-UNK-148caf23-2
0.416
MAK-UNK-8fdbca50-21
0.415
MAK-UNK-148caf23-3
0.411
MAK-UNK-9a6be56d-15
0.408
MAK-UNK-148caf23-13
0.387
MAK-UNK-8fdbca50-23
0.385
MAK-UNK-8fdbca50-6
0.382
MAK-UNK-9a6be56d-17
0.382
MAK-UNK-de9577cf-17
0.381
MAK-UNK-de9577cf-20
0.377
MAK-UNK-8fdbca50-24
0.372
MAK-UNK-8fdbca50-22
0.368
MAK-UNK-9a6be56d-16
0.366
MAK-UNK-9a6be56d-5
0.358
MAK-UNK-8fdbca50-8
0.358
MAK-UNK-de9577cf-22
0.357
MAK-UNK-9a6be56d-18
0.356
MAK-UNK-8fdbca50-40
0.348
MAK-UNK-0955449e-13
0.346
MAK-UNK-9a6be56d-14
0.346
MAK-UNK-de9577cf-1
0.344
MAK-UNK-0955449e-7
0.343
MAK-UNK-9a6be56d-26
0.343
MAK-UNK-8fdbca50-7
0.343
MAK-UNK-8fdbca50-20
0.341
MAK-UNK-8fdbca50-33
0.341
MAK-UNK-0955449e-11
0.340
MAK-UNK-0955449e-6
0.339
MAK-UNK-9a6be56d-27
0.338
MAK-UNK-9a6be56d-30
0.336
MAK-UNK-8fdbca50-9
0.336
MAK-UNK-9a6be56d-28
0.333
MAK-UNK-0955449e-24
0.333
MAK-UNK-0955449e-26
0.333
MAK-UNK-8fdbca50-38
0.333
MAK-UNK-de9577cf-10
0.331
MAK-UNK-0955449e-3
0.331
MAK-UNK-8fdbca50-35
0.329
MAK-UNK-9a6be56d-32
0.328
MAK-UNK-de9577cf-2
0.328
MAK-UNK-0955449e-20
0.327
MAK-UNK-0955449e-28
0.327
MAK-UNK-0955449e-23
0.327
MAK-UNK-0955449e-32
0.325
MAK-UNK-0955449e-25
0.325
MAK-UNK-8fdbca50-5
0.324
MAK-UNK-8fdbca50-34
0.324
MAK-UNK-9a6be56d-25
0.324
MAK-UNK-702fb7d3-6
0.324
MAK-UNK-702fb7d3-7
0.324
MAK-UNK-0955449e-27
0.323
MAK-UNK-702fb7d3-2
0.322
MAK-UNK-8fdbca50-32
0.321
MAK-UNK-8fdbca50-41
0.321
MAK-UNK-0955449e-21
0.321
MAK-UNK-0955449e-8
0.318
MAK-UNK-0955449e-9
0.317
MAK-UNK-9a6be56d-31
0.317
MAK-UNK-9a6be56d-29
0.317
MAK-UNK-de9577cf-11
0.315
MAK-UNK-0955449e-4
0.315
MAK-UNK-702fb7d3-4
0.315
MAK-UNK-0955449e-5
0.312
MAK-UNK-702fb7d3-3
0.312
MAK-UNK-8fdbca50-39
0.312
MAK-UNK-0955449e-14
0.312
MAK-UNK-0955449e-12
0.312
MAK-UNK-0955449e-16
0.311
MAK-UNK-de9577cf-7
0.311
MAK-UNK-702fb7d3-14
0.310
MAK-UNK-8fdbca50-16
0.310
MAK-UNK-9a6be56d-1
0.309
MAK-UNK-702fb7d3-5
0.309
MAK-UNK-0955449e-33
0.308
MAK-UNK-702fb7d3-12
0.308