Molecular Properties | |
SMILES: | CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2OC(=O)c2ccc(S(N)(=O)=O)cc2)c1 |
MW: | 544.586 |
Fraction sp3: | 0.08 |
HBA: | 9 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 150.45 |
cLogP: | 2.5122 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
Acetoxy group attached to the substituted aromatic ring
Ester
MAT-POS-7dfc56d9-1
MAK-UNK-de9577cf-19
0.683
MAK-UNK-de9577cf-16
0.670
MAK-UNK-de9577cf-20
0.657
MAK-UNK-de9577cf-17
0.620
MAK-UNK-de9577cf-22
0.544
MAK-UNK-de9577cf-7
0.526
MAK-UNK-9a6be56d-19
0.516
MAK-UNK-de9577cf-6
0.513
MAK-UNK-de9577cf-10
0.513
MAK-UNK-de9577cf-8
0.509
MAK-UNK-de9577cf-11
0.483
MAK-UNK-de9577cf-15
0.474
MAK-UNK-9a6be56d-15
0.472
MAK-UNK-148caf23-19
0.471
MAK-UNK-8fdbca50-25
0.468
MAK-UNK-de9577cf-9
0.467
MAK-UNK-de9577cf-5
0.462
MAK-UNK-8fdbca50-10
0.457
MAK-UNK-9a6be56d-17
0.456
MAK-UNK-de9577cf-13
0.454
MAK-UNK-9a6be56d-18
0.452
MAK-UNK-de9577cf-1
0.442
MAK-UNK-de9577cf-12
0.430
MAK-UNK-148caf23-15
0.430
MAK-UNK-148caf23-17
0.430
MAK-UNK-148caf23-18
0.430
MAK-UNK-9a6be56d-16
0.426
MAK-UNK-8fdbca50-23
0.425
MAK-UNK-8fdbca50-8
0.417
MAK-UNK-de9577cf-2
0.415
MAK-UNK-8fdbca50-24
0.413
MAK-UNK-8fdbca50-21
0.412
MAK-UNK-9a6be56d-31
0.405
MAK-UNK-9a6be56d-30
0.405
MAK-UNK-148caf23-16
0.403
MAK-UNK-de9577cf-4
0.402
MAK-UNK-8fdbca50-6
0.400
MAK-UNK-9a6be56d-32
0.397
MAK-UNK-8fdbca50-9
0.394
MAK-UNK-9a6be56d-14
0.394
MAK-UNK-9a6be56d-28
0.391
MAK-UNK-9a6be56d-27
0.386
MAK-UNK-8fdbca50-22
0.386
MAK-UNK-148caf23-4
0.386
MAK-UNK-9a6be56d-29
0.383
MAK-UNK-de9577cf-14
0.381
MAK-UNK-9a6be56d-26
0.381
MAK-UNK-148caf23-2
0.380
MAK-UNK-9a6be56d-25
0.380
MAK-UNK-8fdbca50-7
0.380
MAK-UNK-9a6be56d-1
0.376
MAK-UNK-9a6be56d-22
0.376
MAK-UNK-8fdbca50-40
0.376
MAK-UNK-148caf23-3
0.375
MAK-UNK-148caf23-14
0.375
MAK-UNK-148caf23-1
0.372
MAK-UNK-148caf23-5
0.367
MAK-UNK-de9577cf-3
0.366
MAK-UNK-9a6be56d-5
0.366
MAK-UNK-148caf23-8
0.364
MAK-UNK-148caf23-6
0.364
MAK-UNK-8fdbca50-34
0.360
MAK-UNK-702fb7d3-7
0.360
MAK-UNK-148caf23-7
0.359
MAK-UNK-8fdbca50-33
0.358
MAK-UNK-8fdbca50-41
0.358
MAK-UNK-8fdbca50-20
0.358
MAK-UNK-8fdbca50-32
0.358
MAK-UNK-0955449e-25
0.357
MAK-UNK-9a6be56d-23
0.356
MAK-UNK-8fdbca50-35
0.355
MAK-UNK-702fb7d3-11
0.352
MAK-UNK-0955449e-3
0.350
MAK-UNK-9a6be56d-21
0.350
MAK-UNK-8fdbca50-5
0.350
MAK-UNK-702fb7d3-6
0.350
MAK-UNK-8fdbca50-1
0.350
MAK-UNK-8fdbca50-39
0.348
MAK-UNK-8fdbca50-36
0.348
MAK-UNK-702fb7d3-9
0.348
MAK-UNK-148caf23-9
0.346
MAK-UNK-702fb7d3-5
0.346
MAK-UNK-8fdbca50-16
0.345
MAK-UNK-702fb7d3-14
0.345
MAK-UNK-0955449e-24
0.343
MAK-UNK-702fb7d3-12
0.343
MAK-UNK-0955449e-21
0.343
MAK-UNK-0955449e-15
0.342
MAK-UNK-8fdbca50-38
0.341
MAK-UNK-702fb7d3-4
0.340
MAK-UNK-702fb7d3-8
0.340
MAK-UNK-8fdbca50-37
0.338
MAK-UNK-702fb7d3-1
0.338
MAK-UNK-702fb7d3-2
0.338
MAK-UNK-702fb7d3-3
0.338
MAK-UNK-702fb7d3-10
0.338
MAK-UNK-0955449e-28
0.336
MAK-UNK-0955449e-6
0.336
MAK-UNK-148caf23-21
0.336
MAK-UNK-9a6be56d-8
0.336