Molecular Properties | |
SMILES: | CNCc1cc(-c2ccccc2F)n(S(=O)(=CCNc2ccc(C#N)cn2)c2cccnc2)c1 |
MW: | 474.565 |
Fraction sp3: | 0.12 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 95.63 |
cLogP: | 3.69618 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
hyperval_sulfur
Thiocarbonyl group
Activated haloaromatics
Thiocarbonyls
Thiocarbonyl_group
AAR-POS-d2a4d1df-5
MAK-UNK-148caf23-15
0.587
MAK-UNK-148caf23-8
0.586
MAK-UNK-148caf23-16
0.582
MAK-UNK-148caf23-18
0.573
MAK-UNK-148caf23-9
0.562
MAK-UNK-148caf23-19
0.562
MAK-UNK-148caf23-7
0.561
MAK-UNK-148caf23-17
0.559
MAK-UNK-148caf23-22
0.554
MAK-UNK-148caf23-21
0.549
MAK-UNK-148caf23-20
0.544
MAK-UNK-de9577cf-22
0.530
MAK-UNK-148caf23-10
0.530
MAK-UNK-148caf23-12
0.526
MAK-UNK-148caf23-6
0.517
MAK-UNK-148caf23-11
0.513
MAK-UNK-148caf23-23
0.513
MAK-UNK-8fdbca50-20
0.512
MAK-UNK-9a6be56d-14
0.508
MAK-UNK-8fdbca50-5
0.500
MAK-UNK-148caf23-1
0.500
MAK-UNK-148caf23-5
0.483
MAK-UNK-148caf23-4
0.479
MAK-UNK-148caf23-13
0.466
MAK-UNK-148caf23-2
0.459
MAK-UNK-148caf23-3
0.455
MAK-UNK-9a6be56d-5
0.452
MAK-UNK-de9577cf-16
0.394
MAK-UNK-de9577cf-2
0.392
MAK-UNK-9a6be56d-26
0.391
MAK-UNK-8fdbca50-33
0.388
MAK-UNK-9a6be56d-27
0.386
MAK-UNK-9a6be56d-32
0.386
MAK-UNK-de9577cf-1
0.384
MAK-UNK-9a6be56d-25
0.380
MAK-UNK-8fdbca50-34
0.380
MAK-UNK-8fdbca50-32
0.378
MAK-UNK-8fdbca50-40
0.376
MAK-UNK-de9577cf-21
0.375
MAK-UNK-9a6be56d-15
0.373
MAK-UNK-9a6be56d-3
0.371
MAK-UNK-de9577cf-19
0.371
MAK-UNK-9a6be56d-28
0.370
MAK-UNK-8fdbca50-21
0.370
MAK-UNK-8fdbca50-38
0.370
MAK-UNK-de9577cf-10
0.370
MAK-UNK-8fdbca50-1
0.370
MAK-UNK-8fdbca50-39
0.368
MAK-UNK-8fdbca50-41
0.368
MAK-UNK-de9577cf-17
0.367
MAK-UNK-8fdbca50-35
0.365
MAK-UNK-9a6be56d-29
0.363
MAK-UNK-9a6be56d-16
0.363
MAK-UNK-9a6be56d-30
0.363
MAK-UNK-9a6be56d-31
0.363
MAK-UNK-0955449e-5
0.363
MAK-UNK-de9577cf-20
0.363
MAK-UNK-0955449e-3
0.362
MAK-UNK-8fdbca50-23
0.361
MAK-UNK-8fdbca50-25
0.360
MAK-UNK-9a6be56d-19
0.360
MAK-UNK-8fdbca50-6
0.360
MAK-UNK-9a6be56d-17
0.358
MAK-UNK-de9577cf-15
0.357
MAK-UNK-8fdbca50-37
0.357
MAK-UNK-702fb7d3-3
0.357
MAK-UNK-702fb7d3-2
0.357
MAK-UNK-de9577cf-8
0.357
MAK-UNK-0955449e-32
0.356
MAK-UNK-702fb7d3-5
0.356
MAK-UNK-9a6be56d-1
0.356
MAK-UNK-8fdbca50-22
0.356
MAK-UNK-8fdbca50-16
0.355
MAK-UNK-0955449e-4
0.355
MAK-UNK-de9577cf-11
0.354
MAK-UNK-8fdbca50-27
0.353
MAK-UNK-8fdbca50-10
0.353
MAK-UNK-0955449e-29
0.351
MAK-UNK-0955449e-33
0.350
MAK-UNK-9a6be56d-21
0.350
MAK-UNK-8fdbca50-7
0.350
MAK-UNK-702fb7d3-6
0.350
MAK-UNK-de9577cf-7
0.349
MAK-UNK-de9577cf-6
0.349
MAK-UNK-0955449e-6
0.349
MAK-UNK-8fdbca50-36
0.348
MAK-UNK-702fb7d3-1
0.348
MAK-UNK-de9577cf-4
0.346
MAK-UNK-0955449e-34
0.346
MAK-UNK-9a6be56d-22
0.346
MAK-UNK-9a6be56d-23
0.346
MAK-UNK-8fdbca50-8
0.345
MAK-UNK-702fb7d3-14
0.345
MAK-UNK-0955449e-30
0.344
MAK-UNK-de9577cf-3
0.344
MAK-UNK-9a6be56d-18
0.343
MAK-UNK-8fdbca50-2
0.343
MAK-UNK-8fdbca50-9
0.343
MAK-UNK-8fdbca50-28
0.343
MAK-UNK-702fb7d3-12
0.343