Molecular Properties | |
SMILES: | CN1CCCc2cc(NCc3cc(-c4ccccc4F)n(S(=O)(=O)c4cccnc4)c3)c(S(N)(=O)=O)cc21 |
MW: | 555.657 |
Fraction sp3: | 0.19 |
HBA: | 8 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 127.39 |
cLogP: | 3.5681 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
Dye 22
AAR-POS-d2a4d1df-4
MAK-UNK-9a6be56d-28
0.672
MAK-UNK-9a6be56d-27
0.670
MAK-UNK-9a6be56d-25
0.623
MAK-UNK-9a6be56d-3
0.597
MAK-UNK-148caf23-4
0.568
MAK-UNK-9a6be56d-1
0.561
MAK-UNK-148caf23-5
0.546
MAK-UNK-9a6be56d-32
0.536
MAK-UNK-148caf23-2
0.533
MAK-UNK-9a6be56d-29
0.532
MAK-UNK-9a6be56d-30
0.532
MAK-UNK-9a6be56d-4
0.528
MAK-UNK-9a6be56d-8
0.524
MAK-UNK-9a6be56d-31
0.520
MAK-UNK-9a6be56d-6
0.516
MAK-UNK-de9577cf-10
0.512
MAK-UNK-148caf23-3
0.504
MAK-UNK-9a6be56d-5
0.500
MAK-UNK-702fb7d3-11
0.500
MAK-UNK-148caf23-6
0.492
MAK-UNK-702fb7d3-12
0.489
MAK-UNK-8fdbca50-40
0.488
MAK-UNK-148caf23-1
0.488
MAK-UNK-de9577cf-1
0.480
MAK-UNK-8fdbca50-34
0.478
MAK-UNK-8fdbca50-39
0.477
MAK-UNK-8fdbca50-41
0.477
MAK-UNK-9a6be56d-23
0.477
MAK-UNK-9a6be56d-22
0.477
MAK-UNK-702fb7d3-8
0.474
MAK-UNK-9a6be56d-17
0.469
MAK-UNK-148caf23-8
0.468
MAK-UNK-de9577cf-2
0.467
MAK-UNK-8fdbca50-33
0.466
MAK-UNK-702fb7d3-3
0.463
MAK-UNK-702fb7d3-9
0.463
MAK-UNK-9a6be56d-16
0.462
MAK-UNK-148caf23-7
0.461
MAK-UNK-702fb7d3-10
0.460
MAK-UNK-702fb7d3-14
0.460
MAK-UNK-de9577cf-11
0.460
MAK-UNK-9a6be56d-21
0.459
MAK-UNK-702fb7d3-6
0.456
MAK-UNK-8fdbca50-1
0.456
MAK-UNK-8fdbca50-32
0.455
MAK-UNK-8fdbca50-16
0.452
MAK-UNK-8fdbca50-35
0.452
MAK-UNK-9a6be56d-14
0.451
MAK-UNK-9a6be56d-2
0.451
MAK-UNK-148caf23-9
0.449
MAK-UNK-8fdbca50-38
0.448
MAK-UNK-9a6be56d-9
0.447
MAK-UNK-702fb7d3-13
0.447
MAK-UNK-702fb7d3-7
0.445
MAK-UNK-8fdbca50-17
0.444
MAK-UNK-8fdbca50-36
0.442
MAK-UNK-8fdbca50-37
0.442
MAK-UNK-702fb7d3-2
0.442
MAK-UNK-9a6be56d-15
0.440
MAK-UNK-702fb7d3-5
0.433
MAK-UNK-9a6be56d-18
0.432
MAK-UNK-702fb7d3-1
0.432
MAK-UNK-8fdbca50-2
0.430
MAK-UNK-9a6be56d-24
0.429
MAK-UNK-702fb7d3-4
0.424
MAK-UNK-de9577cf-19
0.421
MAK-UNK-de9577cf-7
0.419
MAK-UNK-9a6be56d-10
0.418
MAK-UNK-702fb7d3-19
0.417
MAK-UNK-9a6be56d-19
0.416
MAK-UNK-de9577cf-17
0.415
MAK-UNK-de9577cf-6
0.408
MAK-UNK-9a6be56d-12
0.407
MAK-UNK-702fb7d3-17
0.407
MAK-UNK-de9577cf-4
0.406
MAK-UNK-de9577cf-8
0.405
MAK-UNK-148caf23-21
0.405
MAK-UNK-de9577cf-20
0.402
MAK-UNK-de9577cf-22
0.402
MAK-UNK-148caf23-20
0.402
MAK-UNK-702fb7d3-18
0.401
MAK-UNK-de9577cf-12
0.400
MAK-UNK-de9577cf-16
0.398
MAK-UNK-148caf23-22
0.397
MAK-UNK-148caf23-16
0.397
MAK-UNK-de9577cf-3
0.394
MAK-UNK-148caf23-10
0.391
MAK-UNK-148caf23-14
0.391
MAK-UNK-8fdbca50-28
0.388
MAK-UNK-702fb7d3-20
0.387
MAK-UNK-702fb7d3-21
0.387
MAK-UNK-de9577cf-5
0.386
MAK-UNK-0955449e-32
0.385
MAK-UNK-8fdbca50-3
0.383
MAK-UNK-8fdbca50-18
0.381
MAK-UNK-de9577cf-21
0.381
MAK-UNK-148caf23-18
0.379
MAK-UNK-148caf23-17
0.379
MAK-UNK-8fdbca50-30
0.374
MAK-UNK-0955449e-34
0.372