Molecular Properties | |
SMILES: | CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cncc(OC(=O)c3ccc(S(N)(=O)=O)cc3)c2)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-20
0.768
MAK-UNK-de9577cf-19
0.707
MAK-UNK-de9577cf-16
0.660
MAK-UNK-de9577cf-21
0.620
MAK-UNK-de9577cf-7
0.617
MAK-UNK-de9577cf-8
0.596
MAK-UNK-de9577cf-22
0.562
MAK-UNK-de9577cf-6
0.559
MAK-UNK-de9577cf-10
0.559
MAK-UNK-de9577cf-11
0.541
MAK-UNK-9a6be56d-16
0.525
MAK-UNK-de9577cf-9
0.509
MAK-UNK-de9577cf-5
0.504
MAK-UNK-de9577cf-1
0.496
MAK-UNK-148caf23-16
0.491
MAK-UNK-de9577cf-15
0.491
MAK-UNK-de9577cf-13
0.483
MAK-UNK-8fdbca50-22
0.480
MAK-UNK-9a6be56d-17
0.472
MAK-UNK-de9577cf-2
0.469
MAK-UNK-de9577cf-12
0.458
MAK-UNK-8fdbca50-7
0.457
MAK-UNK-9a6be56d-18
0.455
MAK-UNK-148caf23-17
0.445
MAK-UNK-9a6be56d-32
0.444
MAK-UNK-9a6be56d-15
0.441
MAK-UNK-9a6be56d-31
0.441
MAK-UNK-de9577cf-4
0.441
MAK-UNK-8fdbca50-23
0.440
MAK-UNK-148caf23-18
0.433
MAK-UNK-8fdbca50-8
0.431
MAK-UNK-9a6be56d-30
0.430
MAK-UNK-9a6be56d-19
0.426
MAK-UNK-9a6be56d-28
0.426
MAK-UNK-148caf23-5
0.426
MAK-UNK-9a6be56d-14
0.419
MAK-UNK-8fdbca50-24
0.416
MAK-UNK-148caf23-2
0.416
MAK-UNK-9a6be56d-26
0.415
MAK-UNK-de9577cf-3
0.415
MAK-UNK-9a6be56d-25
0.414
MAK-UNK-148caf23-3
0.411
MAK-UNK-148caf23-4
0.411
MAK-UNK-9a6be56d-27
0.411
MAK-UNK-9a6be56d-1
0.411
MAK-UNK-9a6be56d-29
0.408
MAK-UNK-8fdbca50-9
0.408
MAK-UNK-de9577cf-14
0.407
MAK-UNK-9a6be56d-22
0.400
MAK-UNK-148caf23-15
0.398
MAK-UNK-148caf23-1
0.397
MAK-UNK-8fdbca50-38
0.394
MAK-UNK-9a6be56d-8
0.389
MAK-UNK-8fdbca50-40
0.389
MAK-UNK-148caf23-6
0.389
MAK-UNK-8fdbca50-21
0.383
MAK-UNK-148caf23-7
0.383
MAK-UNK-8fdbca50-6
0.382
MAK-UNK-702fb7d3-6
0.382
MAK-UNK-702fb7d3-4
0.382
MAK-UNK-148caf23-19
0.381
MAK-UNK-702fb7d3-1
0.380
MAK-UNK-9a6be56d-23
0.379
MAK-UNK-148caf23-8
0.378
MAK-UNK-8fdbca50-35
0.378
MAK-UNK-9a6be56d-2
0.376
MAK-UNK-702fb7d3-12
0.374
MAK-UNK-9a6be56d-21
0.373
MAK-UNK-8fdbca50-1
0.372
MAK-UNK-702fb7d3-7
0.372
MAK-UNK-0955449e-25
0.372
MAK-UNK-8fdbca50-33
0.370
MAK-UNK-8fdbca50-20
0.370
MAK-UNK-8fdbca50-39
0.370
MAK-UNK-8fdbca50-41
0.370
MAK-UNK-8fdbca50-32
0.370
MAK-UNK-148caf23-9
0.370
MAK-UNK-8fdbca50-36
0.370
MAK-UNK-702fb7d3-2
0.370
MAK-UNK-702fb7d3-3
0.370
MAK-UNK-9a6be56d-5
0.368
MAK-UNK-702fb7d3-5
0.368
MAK-UNK-8fdbca50-16
0.368
MAK-UNK-148caf23-14
0.367
MAK-UNK-702fb7d3-14
0.367
MAK-UNK-702fb7d3-11
0.364
MAK-UNK-9a6be56d-3
0.364
MAK-UNK-8fdbca50-25
0.363
MAK-UNK-8fdbca50-34
0.362
MAK-UNK-8fdbca50-5
0.362
MAK-UNK-702fb7d3-8
0.362
MAK-UNK-0955449e-22
0.361
MAK-UNK-0955449e-24
0.360
MAK-UNK-702fb7d3-18
0.360
MAK-UNK-8fdbca50-37
0.360
MAK-UNK-702fb7d3-9
0.360
MAK-UNK-0955449e-32
0.359
MAK-UNK-702fb7d3-13
0.357
MAK-UNK-8fdbca50-28
0.356
MAK-UNK-8fdbca50-10
0.355