Molecular Properties | |
SMILES: | CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cnccc2N2CCCc3ccc(S(N)(=O)=O)cc32)c1 |
MW: | 555.657 |
Fraction sp3: | 0.19 |
HBA: | 8 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 127.39 |
cLogP: | 3.3773 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
Dye 22
AAR-POS-d2a4d1df-4
MAK-UNK-9a6be56d-19
0.708
MAK-UNK-9a6be56d-16
0.670
MAK-UNK-9a6be56d-17
0.667
MAK-UNK-9a6be56d-18
0.649
MAK-UNK-9a6be56d-21
0.595
MAK-UNK-9a6be56d-24
0.588
MAK-UNK-9a6be56d-22
0.579
MAK-UNK-9a6be56d-14
0.574
MAK-UNK-9a6be56d-23
0.566
MAK-UNK-9a6be56d-12
0.537
MAK-UNK-de9577cf-16
0.529
MAK-UNK-9a6be56d-1
0.528
MAK-UNK-9a6be56d-10
0.512
MAK-UNK-9a6be56d-5
0.492
MAK-UNK-9a6be56d-31
0.488
MAK-UNK-9a6be56d-25
0.481
MAK-UNK-9a6be56d-8
0.481
MAK-UNK-9a6be56d-2
0.477
MAK-UNK-de9577cf-21
0.472
MAK-UNK-de9577cf-19
0.471
MAK-UNK-9a6be56d-30
0.455
MAK-UNK-de9577cf-20
0.451
MAK-UNK-9a6be56d-9
0.450
MAK-UNK-148caf23-15
0.448
MAK-UNK-9a6be56d-27
0.447
MAK-UNK-9a6be56d-32
0.447
MAK-UNK-9a6be56d-3
0.443
MAK-UNK-de9577cf-17
0.441
MAK-UNK-9a6be56d-28
0.440
MAK-UNK-8fdbca50-21
0.440
MAK-UNK-9a6be56d-26
0.440
MAK-UNK-8fdbca50-6
0.428
MAK-UNK-9a6be56d-29
0.422
MAK-UNK-9a6be56d-6
0.417
MAK-UNK-9a6be56d-11
0.415
MAK-UNK-148caf23-19
0.408
MAK-UNK-de9577cf-22
0.405
MAK-UNK-148caf23-17
0.403
MAK-UNK-148caf23-18
0.403
MAK-UNK-8fdbca50-23
0.400
MAK-UNK-9a6be56d-4
0.396
MAK-UNK-de9577cf-10
0.389
MAK-UNK-148caf23-16
0.389
MAK-UNK-8fdbca50-25
0.388
MAK-UNK-8fdbca50-10
0.380
MAK-UNK-de9577cf-7
0.379
MAK-UNK-8fdbca50-22
0.374
MAK-UNK-148caf23-14
0.373
MAK-UNK-8fdbca50-24
0.368
MAK-UNK-de9577cf-8
0.366
MAK-UNK-8fdbca50-40
0.364
MAK-UNK-8fdbca50-8
0.364
MAK-UNK-148caf23-3
0.363
MAK-UNK-de9577cf-1
0.361
MAK-UNK-8fdbca50-7
0.359
MAK-UNK-de9577cf-6
0.358
MAK-UNK-148caf23-5
0.356
MAK-UNK-de9577cf-11
0.353
MAK-UNK-148caf23-4
0.353
MAK-UNK-8fdbca50-9
0.352
MAK-UNK-148caf23-1
0.350
MAK-UNK-702fb7d3-6
0.349
MAK-UNK-702fb7d3-7
0.349
MAK-UNK-de9577cf-5
0.348
MAK-UNK-148caf23-2
0.348
MAK-UNK-8fdbca50-41
0.347
MAK-UNK-8fdbca50-20
0.347
MAK-UNK-de9577cf-4
0.346
MAK-UNK-de9577cf-9
0.343
MAK-UNK-148caf23-6
0.343
MAK-UNK-148caf23-8
0.343
MAK-UNK-8fdbca50-5
0.340
MAK-UNK-8fdbca50-34
0.340
MAK-UNK-148caf23-7
0.338
MAK-UNK-8fdbca50-32
0.338
MAK-UNK-8fdbca50-33
0.338
MAK-UNK-8fdbca50-36
0.338
MAK-UNK-de9577cf-15
0.336
MAK-UNK-0955449e-32
0.333
MAK-UNK-8fdbca50-38
0.331
MAK-UNK-0955449e-13
0.330
MAK-UNK-702fb7d3-10
0.329
MAK-UNK-702fb7d3-3
0.329
MAK-UNK-702fb7d3-9
0.329
MAK-UNK-8fdbca50-39
0.329
AAR-POS-d2a4d1df-4
0.327
MAK-UNK-8fdbca50-16
0.327
MAK-UNK-8fdbca50-35
0.327
MAK-UNK-702fb7d3-5
0.326
MAK-UNK-0955449e-34
0.326
MAK-UNK-148caf23-21
0.326
MAK-UNK-de9577cf-2
0.326
MAK-UNK-702fb7d3-11
0.325
MAK-UNK-8fdbca50-1
0.322
MAK-UNK-702fb7d3-4
0.322
MAK-UNK-de9577cf-12
0.321
MAK-UNK-de9577cf-13
0.321
MAK-UNK-702fb7d3-2
0.320
MAK-UNK-8fdbca50-37
0.320
MAK-UNK-702fb7d3-1
0.320