Molecular Properties | |
SMILES: | CNCc1cc(-c2cccc(N3CCCc4ccc(S(N)(=O)=O)cc43)c2F)n(S(=O)(=O)c2cccnc2)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-24
0.727
MAK-UNK-9a6be56d-23
0.699
MAK-UNK-9a6be56d-22
0.699
MAK-UNK-9a6be56d-2
0.608
MAK-UNK-9a6be56d-15
0.595
MAK-UNK-9a6be56d-17
0.579
MAK-UNK-9a6be56d-16
0.569
MAK-UNK-9a6be56d-18
0.562
MAK-UNK-9a6be56d-10
0.557
MAK-UNK-9a6be56d-1
0.548
MAK-UNK-9a6be56d-6
0.541
MAK-UNK-de9577cf-6
0.538
MAK-UNK-9a6be56d-12
0.532
MAK-UNK-9a6be56d-14
0.532
MAK-UNK-9a6be56d-19
0.528
MAK-UNK-9a6be56d-8
0.512
MAK-UNK-9a6be56d-31
0.508
MAK-UNK-9a6be56d-25
0.500
MAK-UNK-9a6be56d-30
0.485
MAK-UNK-9a6be56d-9
0.481
MAK-UNK-9a6be56d-32
0.477
MAK-UNK-148caf23-20
0.468
MAK-UNK-9a6be56d-27
0.466
MAK-UNK-de9577cf-5
0.464
MAK-UNK-de9577cf-7
0.464
MAK-UNK-de9577cf-4
0.463
MAK-UNK-9a6be56d-3
0.462
MAK-UNK-de9577cf-8
0.460
MAK-UNK-9a6be56d-26
0.459
MAK-UNK-9a6be56d-28
0.459
MAK-UNK-9a6be56d-29
0.451
MAK-UNK-8fdbca50-27
0.451
MAK-UNK-de9577cf-9
0.445
MAK-UNK-9a6be56d-5
0.444
MAK-UNK-9a6be56d-11
0.433
MAK-UNK-0955449e-32
0.432
MAK-UNK-8fdbca50-12
0.432
MAK-UNK-148caf23-21
0.415
MAK-UNK-0955449e-34
0.414
MAK-UNK-9a6be56d-4
0.414
MAK-UNK-de9577cf-10
0.408
MAK-UNK-148caf23-22
0.408
MAK-UNK-0955449e-33
0.403
MAK-UNK-8fdbca50-28
0.399
MAK-UNK-8fdbca50-13
0.397
MAK-UNK-8fdbca50-30
0.394
MAK-UNK-de9577cf-22
0.391
MAK-UNK-de9577cf-1
0.389
MAK-UNK-de9577cf-19
0.388
MAK-UNK-148caf23-23
0.386
MAK-UNK-8fdbca50-14
0.383
MAK-UNK-8fdbca50-26
0.383
MAK-UNK-8fdbca50-40
0.381
MAK-UNK-148caf23-3
0.381
MAK-UNK-0955449e-35
0.380
MAK-UNK-de9577cf-20
0.380
MAK-UNK-de9577cf-16
0.378
MAK-UNK-8fdbca50-11
0.375
MAK-UNK-8fdbca50-31
0.373
MAK-UNK-de9577cf-17
0.373
MAK-UNK-148caf23-5
0.373
MAK-UNK-de9577cf-11
0.371
MAK-UNK-148caf23-4
0.370
MAK-UNK-148caf23-1
0.368
MAK-UNK-702fb7d3-6
0.366
MAK-UNK-148caf23-2
0.365
MAK-UNK-8fdbca50-41
0.364
MAK-UNK-148caf23-6
0.360
MAK-UNK-148caf23-8
0.360
MAK-UNK-de9577cf-13
0.358
MAK-UNK-702fb7d3-7
0.356
MAK-UNK-148caf23-7
0.355
MAK-UNK-de9577cf-2
0.354
MAK-UNK-8fdbca50-15
0.354
MAK-UNK-8fdbca50-36
0.354
MAK-UNK-702fb7d3-9
0.354
MAK-UNK-de9577cf-21
0.350
MAK-UNK-148caf23-14
0.350
MAK-UNK-702fb7d3-11
0.349
MAK-UNK-8fdbca50-23
0.348
MAK-UNK-8fdbca50-38
0.347
MAK-UNK-8fdbca50-34
0.347
MAK-UNK-702fb7d3-8
0.347
MAK-UNK-8fdbca50-33
0.345
MAK-UNK-8fdbca50-39
0.345
MAK-UNK-8fdbca50-32
0.345
MAK-UNK-8fdbca50-37
0.345
MAK-UNK-702fb7d3-2
0.345
MAK-UNK-702fb7d3-3
0.345
MAK-UNK-702fb7d3-10
0.344
MAK-UNK-de9577cf-15
0.343
MAK-UNK-702fb7d3-5
0.343
MAK-UNK-8fdbca50-16
0.342
MAK-UNK-702fb7d3-13
0.342
MAK-UNK-702fb7d3-12
0.340
MAK-UNK-de9577cf-12
0.338
MAK-UNK-148caf23-17
0.338
MAK-UNK-8fdbca50-1
0.338
MAK-UNK-702fb7d3-4
0.338
MAK-UNK-702fb7d3-1
0.336