Molecular Properties | |
SMILES: | CNCc1cn(S(=O)(=O)c2cccnc2)c(-c2ccccc2F)c1N1CCCc2ccc(S(N)(=O)=O)cc21 |
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-12
0.617
MAK-UNK-9a6be56d-23
0.580
MAK-UNK-9a6be56d-24
0.563
MAK-UNK-9a6be56d-21
0.557
MAK-UNK-9a6be56d-22
0.554
MAK-UNK-9a6be56d-1
0.516
MAK-UNK-9a6be56d-14
0.512
MAK-UNK-9a6be56d-15
0.512
MAK-UNK-9a6be56d-16
0.512
MAK-UNK-de9577cf-13
0.508
MAK-UNK-9a6be56d-9
0.508
MAK-UNK-9a6be56d-17
0.508
MAK-UNK-9a6be56d-11
0.492
MAK-UNK-9a6be56d-8
0.492
MAK-UNK-9a6be56d-18
0.492
MAK-UNK-9a6be56d-2
0.488
MAK-UNK-9a6be56d-19
0.484
MAK-UNK-9a6be56d-31
0.465
MAK-UNK-9a6be56d-25
0.459
MAK-UNK-148caf23-11
0.455
MAK-UNK-9a6be56d-30
0.443
MAK-UNK-9a6be56d-3
0.442
MAK-UNK-9a6be56d-4
0.438
MAK-UNK-9a6be56d-27
0.435
MAK-UNK-9a6be56d-32
0.435
MAK-UNK-9a6be56d-28
0.429
MAK-UNK-9a6be56d-5
0.424
MAK-UNK-9a6be56d-26
0.418
MAK-UNK-9a6be56d-6
0.415
MAK-UNK-9a6be56d-29
0.410
MAK-UNK-de9577cf-15
0.408
MAK-UNK-de9577cf-12
0.369
MAK-UNK-148caf23-12
0.366
MAK-UNK-0955449e-31
0.366
MAK-UNK-de9577cf-6
0.366
MAK-UNK-de9577cf-10
0.366
MAK-UNK-de9577cf-11
0.362
MAK-UNK-de9577cf-9
0.361
MAK-UNK-de9577cf-7
0.356
MAK-UNK-de9577cf-8
0.353
MAK-UNK-148caf23-5
0.353
TAM-UNI-c140e31a-6
0.353
MAK-UNK-8fdbca50-18
0.353
MAK-UNK-8fdbca50-40
0.353
MAK-UNK-0955449e-30
0.352
MAK-UNK-148caf23-10
0.351
MAK-UNK-de9577cf-22
0.351
MAK-UNK-de9577cf-1
0.348
MAK-UNK-148caf23-1
0.348
MAK-UNK-0955449e-29
0.348
MAK-UNK-702fb7d3-7
0.347
MAK-UNK-de9577cf-5
0.346
MAK-UNK-8fdbca50-41
0.345
MAK-UNK-148caf23-4
0.341
MAK-UNK-148caf23-3
0.341
MAK-UNK-702fb7d3-21
0.340
MAK-UNK-de9577cf-16
0.338
MAK-UNK-de9577cf-14
0.336
MAK-UNK-148caf23-23
0.336
MAK-UNK-148caf23-2
0.336
MAK-UNK-8fdbca50-3
0.336
PET-SGC-59809fea-1
0.333
MAK-UNK-de9577cf-2
0.333
MAK-UNK-de9577cf-4
0.333
MAK-UNK-8fdbca50-17
0.333
MAK-UNK-148caf23-8
0.331
MAK-UNK-148caf23-6
0.331
MAK-UNK-de9577cf-3
0.331
MAK-UNK-702fb7d3-6
0.329
MAK-UNK-8fdbca50-38
0.329
MAK-UNK-702fb7d3-10
0.327
MAK-UNK-8fdbca50-36
0.327
MAK-UNK-702fb7d3-9
0.327
MAK-UNK-8fdbca50-37
0.327
MAK-UNK-148caf23-7
0.326
MAK-UNK-de9577cf-19
0.326
AAR-POS-d2a4d1df-4
0.324
MAK-UNK-148caf23-9
0.324
MAK-UNK-702fb7d3-20
0.322
MAK-UNK-148caf23-14
0.321
MAK-UNK-148caf23-20
0.321
MAK-UNK-8fdbca50-34
0.320
MAK-UNK-702fb7d3-3
0.318
MAK-UNK-8fdbca50-33
0.317
MAK-UNK-8fdbca50-32
0.317
MAK-UNK-8fdbca50-39
0.317
MAK-UNK-148caf23-22
0.316
MAK-UNK-702fb7d3-13
0.316
MAK-UNK-702fb7d3-14
0.315
MAK-UNK-8fdbca50-16
0.315
MAK-UNK-702fb7d3-5
0.315
MAK-UNK-0955449e-33
0.315
MAK-UNK-de9577cf-17
0.314
MAK-UNK-148caf23-21
0.314
MAK-UNK-702fb7d3-11
0.313
MAK-UNK-702fb7d3-19
0.313
TAM-UNI-c140e31a-4
0.312
MAK-UNK-8fdbca50-1
0.311
MAK-UNK-702fb7d3-4
0.311
MAK-UNK-0955449e-32
0.310