Molecular Properties | |
SMILES: | CNCc1cc(-c2ccccc2F)n(S(=O)(=CN2CCCc3ccc(S(N)(=O)=O)cc32)c2cccnc2)c1 |
MW: | 553.685 |
Fraction sp3: | 0.19 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 110.32 |
cLogP: | 3.3751 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
hyperval_sulfur
Thiocarbonyl group
Activated haloaromatics
Heteroatom-bonded thiocarbonyls
Dye 22
Thiocarbonyl_group
AAR-POS-d2a4d1df-4
MAK-UNK-9a6be56d-5
0.592
MAK-UNK-9a6be56d-15
0.574
MAK-UNK-9a6be56d-16
0.561
MAK-UNK-de9577cf-22
0.559
MAK-UNK-9a6be56d-18
0.554
MAK-UNK-9a6be56d-1
0.553
MAK-UNK-9a6be56d-22
0.553
MAK-UNK-9a6be56d-17
0.545
MAK-UNK-9a6be56d-19
0.544
MAK-UNK-9a6be56d-23
0.540
MAK-UNK-9a6be56d-8
0.540
MAK-UNK-9a6be56d-12
0.537
MAK-UNK-9a6be56d-21
0.532
MAK-UNK-9a6be56d-24
0.524
MAK-UNK-9a6be56d-25
0.515
MAK-UNK-9a6be56d-10
0.512
MAK-UNK-9a6be56d-2
0.512
MAK-UNK-9a6be56d-31
0.512
MAK-UNK-148caf23-14
0.508
MAK-UNK-8fdbca50-20
0.504
MAK-UNK-8fdbca50-5
0.504
MAK-UNK-9a6be56d-9
0.496
MAK-UNK-9a6be56d-30
0.488
MAK-UNK-9a6be56d-32
0.481
MAK-UNK-9a6be56d-3
0.477
MAK-UNK-9a6be56d-11
0.469
MAK-UNK-9a6be56d-27
0.469
MAK-UNK-9a6be56d-29
0.455
MAK-UNK-9a6be56d-26
0.451
MAK-UNK-9a6be56d-4
0.450
MAK-UNK-9a6be56d-6
0.450
MAK-UNK-9a6be56d-28
0.440
MAK-UNK-de9577cf-17
0.419
MAK-UNK-de9577cf-19
0.413
MAK-UNK-de9577cf-16
0.412
MAK-UNK-de9577cf-11
0.406
MAK-UNK-de9577cf-20
0.405
MAK-UNK-de9577cf-7
0.400
MAK-UNK-de9577cf-10
0.400
MAK-UNK-de9577cf-8
0.397
MAK-UNK-de9577cf-21
0.394
MAK-UNK-de9577cf-6
0.389
MAK-UNK-de9577cf-15
0.388
MAK-UNK-8fdbca50-40
0.384
MAK-UNK-de9577cf-1
0.382
MAK-UNK-148caf23-5
0.376
MAK-UNK-8fdbca50-33
0.376
MAK-UNK-8fdbca50-32
0.376
MAK-UNK-148caf23-4
0.373
MAK-UNK-de9577cf-13
0.371
MAK-UNK-8fdbca50-23
0.370
MAK-UNK-8fdbca50-21
0.369
MAK-UNK-8fdbca50-38
0.369
MAK-UNK-de9577cf-5
0.368
MAK-UNK-8fdbca50-6
0.368
MAK-UNK-8fdbca50-34
0.368
MAK-UNK-148caf23-7
0.368
MAK-UNK-148caf23-2
0.368
MAK-UNK-de9577cf-4
0.366
MAK-UNK-8fdbca50-41
0.366
MAK-UNK-8fdbca50-39
0.366
MAK-UNK-8fdbca50-36
0.366
MAK-UNK-8fdbca50-22
0.364
MAK-UNK-8fdbca50-16
0.364
MAK-UNK-148caf23-6
0.363
MAK-UNK-de9577cf-9
0.363
MAK-UNK-148caf23-3
0.363
MAK-UNK-8fdbca50-28
0.362
MAK-UNK-de9577cf-12
0.361
MAK-UNK-148caf23-1
0.360
MAK-UNK-8fdbca50-1
0.359
MAK-UNK-702fb7d3-6
0.359
MAK-UNK-148caf23-16
0.358
MAK-UNK-8fdbca50-24
0.358
MAK-UNK-de9577cf-2
0.357
MAK-UNK-8fdbca50-37
0.356
MAK-UNK-148caf23-9
0.356
MAK-UNK-148caf23-21
0.356
MAK-UNK-0955449e-32
0.355
MAK-UNK-8fdbca50-17
0.355
MAK-UNK-8fdbca50-35
0.354
MAK-UNK-148caf23-8
0.353
MAK-UNK-8fdbca50-2
0.352
MAK-UNK-148caf23-15
0.351
MAK-UNK-148caf23-17
0.351
MAK-UNK-148caf23-18
0.351
MAK-UNK-0955449e-29
0.350
MAK-UNK-8fdbca50-7
0.349
MAK-UNK-702fb7d3-7
0.349
MAK-UNK-8fdbca50-30
0.348
MAK-UNK-8fdbca50-3
0.347
MAK-UNK-148caf23-19
0.346
MAK-UNK-0955449e-34
0.345
MAK-UNK-702fb7d3-5
0.345
MAK-UNK-8fdbca50-18
0.345
MAK-UNK-8fdbca50-8
0.345
MAK-UNK-148caf23-10
0.343
MAK-UNK-8fdbca50-9
0.343
MAK-UNK-8fdbca50-27
0.343
MAK-UNK-8fdbca50-13
0.342