Molecular Properties | |
SMILES: | CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2ccc(N3CCCc4ccc(S(N)(=O)=O)cc43)nc2)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-16
0.696
MAK-UNK-9a6be56d-18
0.691
MAK-UNK-9a6be56d-15
0.667
MAK-UNK-9a6be56d-19
0.661
MAK-UNK-9a6be56d-22
0.602
MAK-UNK-9a6be56d-23
0.588
MAK-UNK-9a6be56d-21
0.579
MAK-UNK-de9577cf-19
0.571
MAK-UNK-9a6be56d-1
0.562
MAK-UNK-9a6be56d-24
0.545
MAK-UNK-9a6be56d-14
0.545
MAK-UNK-9a6be56d-12
0.520
MAK-UNK-9a6be56d-25
0.512
MAK-UNK-9a6be56d-10
0.508
MAK-UNK-9a6be56d-8
0.500
MAK-UNK-9a6be56d-2
0.496
MAK-UNK-9a6be56d-31
0.496
MAK-UNK-8fdbca50-23
0.496
MAK-UNK-148caf23-17
0.492
MAK-UNK-9a6be56d-30
0.484
MAK-UNK-de9577cf-16
0.476
MAK-UNK-9a6be56d-3
0.472
MAK-UNK-de9577cf-17
0.472
MAK-UNK-de9577cf-20
0.471
MAK-UNK-9a6be56d-26
0.469
MAK-UNK-9a6be56d-5
0.465
MAK-UNK-9a6be56d-27
0.465
MAK-UNK-9a6be56d-32
0.465
MAK-UNK-9a6be56d-9
0.457
MAK-UNK-de9577cf-21
0.456
MAK-UNK-9a6be56d-28
0.447
MAK-UNK-9a6be56d-6
0.445
MAK-UNK-8fdbca50-8
0.440
MAK-UNK-9a6be56d-29
0.439
MAK-UNK-148caf23-18
0.432
MAK-UNK-148caf23-16
0.429
MAK-UNK-9a6be56d-4
0.423
MAK-UNK-148caf23-15
0.398
MAK-UNK-de9577cf-10
0.395
MAK-UNK-8fdbca50-24
0.394
MAK-UNK-9a6be56d-11
0.390
MAK-UNK-8fdbca50-22
0.390
MAK-UNK-de9577cf-22
0.389
MAK-UNK-de9577cf-7
0.385
MAK-UNK-de9577cf-6
0.385
MAK-UNK-148caf23-19
0.382
MAK-UNK-8fdbca50-40
0.380
MAK-UNK-148caf23-3
0.379
MAK-UNK-148caf23-4
0.379
MAK-UNK-de9577cf-1
0.377
MAK-UNK-148caf23-1
0.376
MAK-UNK-8fdbca50-21
0.374
MAK-UNK-8fdbca50-7
0.373
MAK-UNK-702fb7d3-6
0.373
MAK-UNK-148caf23-7
0.373
MAK-UNK-148caf23-2
0.373
MAK-UNK-148caf23-5
0.371
MAK-UNK-de9577cf-8
0.371
MAK-UNK-de9577cf-11
0.369
MAK-UNK-148caf23-8
0.368
MAK-UNK-148caf23-6
0.368
MAK-UNK-8fdbca50-9
0.367
MAK-UNK-8fdbca50-10
0.366
MAK-UNK-8fdbca50-25
0.364
MAK-UNK-8fdbca50-6
0.364
MAK-UNK-702fb7d3-7
0.364
MAK-UNK-8fdbca50-41
0.362
MAK-UNK-148caf23-14
0.358
MAK-UNK-702fb7d3-11
0.356
MAK-UNK-8fdbca50-38
0.355
MAK-UNK-702fb7d3-4
0.354
MAK-UNK-de9577cf-5
0.353
MAK-UNK-8fdbca50-33
0.352
MAK-UNK-702fb7d3-3
0.352
MAK-UNK-702fb7d3-2
0.352
MAK-UNK-de9577cf-4
0.351
MAK-UNK-148caf23-21
0.351
MAK-UNK-0955449e-32
0.350
AAR-POS-d2a4d1df-4
0.347
MAK-UNK-8fdbca50-34
0.345
MAK-UNK-8fdbca50-1
0.345
MAK-UNK-8fdbca50-32
0.343
MAK-UNK-8fdbca50-39
0.343
MAK-UNK-8fdbca50-36
0.342
MAK-UNK-702fb7d3-1
0.342
MAK-UNK-702fb7d3-9
0.342
MAK-UNK-702fb7d3-10
0.342
MAK-UNK-de9577cf-2
0.341
MAK-UNK-de9577cf-15
0.341
MAK-UNK-148caf23-9
0.341
MAK-UNK-0955449e-34
0.341
MAK-UNK-702fb7d3-5
0.340
MAK-UNK-8fdbca50-16
0.340
MAK-UNK-702fb7d3-14
0.340
MAK-UNK-702fb7d3-13
0.340
MAK-UNK-de9577cf-9
0.338
MAK-UNK-8fdbca50-28
0.338
MAK-UNK-702fb7d3-12
0.338
MAK-UNK-148caf23-22
0.333
MAK-UNK-8fdbca50-37
0.333