Molecular Properties | |
SMILES: | CNCc1cc(-c2ccc(N3CCCc4ccc(S(N)(=O)=O)cc43)cc2F)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-23
0.827
MAK-UNK-9a6be56d-21
0.699
MAK-UNK-9a6be56d-24
0.679
MAK-UNK-9a6be56d-16
0.647
MAK-UNK-9a6be56d-18
0.640
MAK-UNK-9a6be56d-17
0.602
MAK-UNK-9a6be56d-2
0.592
MAK-UNK-9a6be56d-15
0.579
MAK-UNK-9a6be56d-1
0.570
MAK-UNK-de9577cf-7
0.560
MAK-UNK-9a6be56d-10
0.554
MAK-UNK-9a6be56d-14
0.553
MAK-UNK-9a6be56d-6
0.550
MAK-UNK-9a6be56d-19
0.548
MAK-UNK-9a6be56d-12
0.528
MAK-UNK-9a6be56d-8
0.520
MAK-UNK-9a6be56d-25
0.519
MAK-UNK-9a6be56d-31
0.516
MAK-UNK-9a6be56d-32
0.496
MAK-UNK-9a6be56d-30
0.492
MAK-UNK-de9577cf-8
0.492
MAK-UNK-148caf23-21
0.492
MAK-UNK-0955449e-34
0.488
MAK-UNK-9a6be56d-27
0.484
MAK-UNK-de9577cf-6
0.484
MAK-UNK-9a6be56d-3
0.480
MAK-UNK-9a6be56d-26
0.477
MAK-UNK-9a6be56d-9
0.477
MAK-UNK-8fdbca50-28
0.469
MAK-UNK-9a6be56d-28
0.466
MAK-UNK-0955449e-32
0.465
MAK-UNK-de9577cf-4
0.459
MAK-UNK-9a6be56d-29
0.458
MAK-UNK-de9577cf-9
0.452
MAK-UNK-9a6be56d-5
0.450
MAK-UNK-8fdbca50-13
0.444
MAK-UNK-de9577cf-5
0.437
MAK-UNK-0955449e-33
0.435
MAK-UNK-0955449e-35
0.426
MAK-UNK-148caf23-22
0.425
MAK-UNK-8fdbca50-30
0.421
MAK-UNK-9a6be56d-4
0.420
MAK-UNK-de9577cf-19
0.416
MAK-UNK-8fdbca50-27
0.415
MAK-UNK-de9577cf-10
0.414
MAK-UNK-148caf23-20
0.408
MAK-UNK-9a6be56d-11
0.407
MAK-UNK-de9577cf-16
0.405
MAK-UNK-148caf23-2
0.402
MAK-UNK-de9577cf-17
0.400
MAK-UNK-8fdbca50-14
0.399
MAK-UNK-de9577cf-11
0.398
MAK-UNK-8fdbca50-40
0.397
MAK-UNK-de9577cf-20
0.397
MAK-UNK-de9577cf-1
0.395
MAK-UNK-148caf23-1
0.394
MAK-UNK-148caf23-23
0.392
MAK-UNK-148caf23-5
0.389
MAK-UNK-de9577cf-22
0.386
MAK-UNK-148caf23-4
0.386
MAK-UNK-148caf23-3
0.386
MAK-UNK-702fb7d3-6
0.380
MAK-UNK-8fdbca50-31
0.379
MAK-UNK-8fdbca50-41
0.379
MAK-UNK-8fdbca50-12
0.378
MAK-UNK-148caf23-6
0.376
MAK-UNK-148caf23-8
0.376
MAK-UNK-de9577cf-21
0.376
MAK-UNK-de9577cf-13
0.374
MAK-UNK-702fb7d3-7
0.371
MAK-UNK-148caf23-7
0.370
MAK-UNK-de9577cf-15
0.369
MAK-UNK-8fdbca50-26
0.369
MAK-UNK-702fb7d3-9
0.368
MAK-UNK-702fb7d3-5
0.367
MAK-UNK-8fdbca50-38
0.362
MAK-UNK-8fdbca50-11
0.361
MAK-UNK-8fdbca50-34
0.361
MAK-UNK-702fb7d3-8
0.361
MAK-UNK-de9577cf-2
0.359
MAK-UNK-8fdbca50-32
0.359
MAK-UNK-8fdbca50-33
0.359
MAK-UNK-8fdbca50-39
0.359
MAK-UNK-702fb7d3-3
0.359
MAK-UNK-8fdbca50-15
0.359
MAK-UNK-8fdbca50-36
0.359
MAK-UNK-702fb7d3-10
0.358
MAK-UNK-8fdbca50-16
0.357
MAK-UNK-702fb7d3-12
0.354
MAK-UNK-702fb7d3-11
0.354
MAK-UNK-de9577cf-12
0.353
MAK-UNK-148caf23-17
0.353
MAK-UNK-8fdbca50-23
0.353
MAK-UNK-702fb7d3-4
0.352
MAK-UNK-8fdbca50-1
0.352
MAK-UNK-702fb7d3-2
0.349
MAK-UNK-8fdbca50-37
0.349
MAK-UNK-702fb7d3-1
0.349
MAK-UNK-148caf23-9
0.348
MAK-UNK-8fdbca50-17
0.348