Molecular Properties | |
SMILES: | CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cnccc2OC(=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
0.676
MAK-UNK-de9577cf-21
0.670
MAK-UNK-de9577cf-17
0.660
MAK-UNK-de9577cf-20
0.650
MAK-UNK-de9577cf-6
0.591
MAK-UNK-de9577cf-22
0.580
MAK-UNK-de9577cf-7
0.549
MAK-UNK-de9577cf-10
0.535
MAK-UNK-de9577cf-8
0.530
MAK-UNK-9a6be56d-15
0.529
MAK-UNK-de9577cf-9
0.526
MAK-UNK-de9577cf-15
0.509
MAK-UNK-de9577cf-11
0.504
MAK-UNK-de9577cf-5
0.483
MAK-UNK-9a6be56d-17
0.476
MAK-UNK-148caf23-15
0.475
MAK-UNK-de9577cf-13
0.475
MAK-UNK-9a6be56d-16
0.468
MAK-UNK-9a6be56d-19
0.465
MAK-UNK-de9577cf-1
0.462
MAK-UNK-8fdbca50-21
0.453
MAK-UNK-8fdbca50-6
0.450
MAK-UNK-de9577cf-12
0.450
MAK-UNK-9a6be56d-18
0.448
MAK-UNK-de9577cf-2
0.436
MAK-UNK-148caf23-17
0.426
MAK-UNK-148caf23-16
0.423
MAK-UNK-de9577cf-4
0.421
MAK-UNK-148caf23-19
0.419
MAK-UNK-9a6be56d-32
0.415
MAK-UNK-8fdbca50-22
0.415
MAK-UNK-148caf23-18
0.415
MAK-UNK-8fdbca50-8
0.414
MAK-UNK-9a6be56d-14
0.412
MAK-UNK-9a6be56d-31
0.412
MAK-UNK-9a6be56d-30
0.412
MAK-UNK-de9577cf-14
0.411
MAK-UNK-8fdbca50-23
0.411
MAK-UNK-8fdbca50-10
0.410
MAK-UNK-9a6be56d-28
0.409
MAK-UNK-9a6be56d-22
0.405
MAK-UNK-9a6be56d-27
0.405
MAK-UNK-9a6be56d-1
0.405
MAK-UNK-9a6be56d-26
0.398
MAK-UNK-8fdbca50-25
0.398
MAK-UNK-8fdbca50-24
0.398
MAK-UNK-9a6be56d-25
0.397
MAK-UNK-8fdbca50-7
0.397
MAK-UNK-9a6be56d-5
0.394
MAK-UNK-148caf23-3
0.394
MAK-UNK-148caf23-14
0.394
MAK-UNK-9a6be56d-29
0.391
MAK-UNK-8fdbca50-9
0.391
MAK-UNK-148caf23-2
0.388
MAK-UNK-148caf23-5
0.386
MAK-UNK-de9577cf-3
0.385
MAK-UNK-8fdbca50-40
0.383
MAK-UNK-9a6be56d-23
0.383
MAK-UNK-148caf23-4
0.383
MAK-UNK-148caf23-1
0.380
MAK-UNK-9a6be56d-21
0.378
MAK-UNK-0955449e-25
0.377
MAK-UNK-8fdbca50-34
0.377
MAK-UNK-702fb7d3-7
0.377
MAK-UNK-8fdbca50-32
0.375
MAK-UNK-8fdbca50-33
0.375
MAK-UNK-148caf23-6
0.372
MAK-UNK-148caf23-8
0.372
MAK-UNK-702fb7d3-14
0.371
MAK-UNK-702fb7d3-6
0.367
MAK-UNK-8fdbca50-1
0.367
MAK-UNK-8fdbca50-5
0.367
MAK-UNK-702fb7d3-4
0.367
MAK-UNK-148caf23-7
0.366
MAK-UNK-8fdbca50-41
0.365
MAK-UNK-8fdbca50-20
0.365
MAK-UNK-148caf23-9
0.364
MAK-UNK-702fb7d3-5
0.363
MAK-UNK-8fdbca50-35
0.362
MAK-UNK-702fb7d3-11
0.359
MAK-UNK-702fb7d3-12
0.359
MAK-UNK-9a6be56d-24
0.358
MAK-UNK-8fdbca50-38
0.358
MAK-UNK-148caf23-22
0.357
MAK-UNK-8fdbca50-39
0.355
MAK-UNK-702fb7d3-3
0.355
MAK-UNK-8fdbca50-37
0.355
MAK-UNK-702fb7d3-2
0.355
MAK-UNK-8fdbca50-36
0.355
MAK-UNK-702fb7d3-1
0.355
MAK-UNK-702fb7d3-9
0.355
MAK-UNK-702fb7d3-10
0.354
MAK-UNK-148caf23-21
0.354
MAK-UNK-0955449e-24
0.353
MAK-UNK-9a6be56d-8
0.353
MAK-UNK-8fdbca50-16
0.353
MAK-UNK-0955449e-4
0.352
MAK-UNK-702fb7d3-13
0.352
MAK-UNK-9a6be56d-2
0.350
MAK-UNK-8fdbca50-28
0.350