Molecular Properties | |
SMILES: | CNCc1cc(-c2c(F)cccc2OC(=O)c2ccc(S(N)(=O)=O)cc2)n(S(=O)(=O)c2cccnc2)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: | ✗ |
phenol ester
Activated haloaromatics
Acetoxy group attached to the substituted aromatic ring
Ester
Phenylester
MAT-POS-7dfc56d9-1
MAK-UNK-de9577cf-6
0.706
MAK-UNK-de9577cf-7
0.642
MAK-UNK-de9577cf-8
0.636
MAK-UNK-de9577cf-5
0.554
MAK-UNK-9a6be56d-24
0.534
MAK-UNK-de9577cf-16
0.526
MAK-UNK-de9577cf-20
0.523
MAK-UNK-de9577cf-17
0.509
MAK-UNK-de9577cf-19
0.504
MAK-UNK-de9577cf-13
0.504
MAK-UNK-de9577cf-10
0.500
MAK-UNK-de9577cf-15
0.500
MAK-UNK-de9577cf-22
0.492
MAK-UNK-148caf23-23
0.487
MAK-UNK-de9577cf-11
0.483
MAK-UNK-de9577cf-4
0.474
MAK-UNK-de9577cf-21
0.467
MAK-UNK-8fdbca50-31
0.465
MAK-UNK-de9577cf-12
0.454
MAK-UNK-9a6be56d-22
0.452
MAK-UNK-8fdbca50-15
0.450
MAK-UNK-9a6be56d-21
0.445
MAK-UNK-9a6be56d-23
0.441
MAK-UNK-de9577cf-1
0.430
MAK-UNK-0955449e-33
0.423
MAK-UNK-0955449e-32
0.416
MAK-UNK-9a6be56d-31
0.415
MAK-UNK-9a6be56d-2
0.415
MAK-UNK-de9577cf-2
0.415
MAK-UNK-148caf23-21
0.411
MAK-UNK-9a6be56d-32
0.408
MAK-UNK-0955449e-35
0.406
MAK-UNK-9a6be56d-30
0.405
MAK-UNK-148caf23-22
0.403
MAK-UNK-0955449e-34
0.398
MAK-UNK-148caf23-20
0.397
MAK-UNK-8fdbca50-27
0.394
MAK-UNK-de9577cf-14
0.392
MAK-UNK-8fdbca50-30
0.389
MAK-UNK-9a6be56d-6
0.388
MAK-UNK-9a6be56d-29
0.383
MAK-UNK-8fdbca50-28
0.383
MAK-UNK-9a6be56d-28
0.381
MAK-UNK-9a6be56d-25
0.380
MAK-UNK-8fdbca50-14
0.378
MAK-UNK-de9577cf-3
0.377
MAK-UNK-8fdbca50-12
0.377
MAK-UNK-9a6be56d-1
0.376
MAK-UNK-9a6be56d-27
0.376
MAK-UNK-8fdbca50-13
0.372
MAK-UNK-9a6be56d-26
0.370
MAK-UNK-148caf23-3
0.364
MAK-UNK-9a6be56d-14
0.363
MAK-UNK-9a6be56d-10
0.361
MAK-UNK-8fdbca50-26
0.358
MAK-UNK-148caf23-6
0.354
MAK-UNK-8fdbca50-11
0.350
MAK-UNK-148caf23-2
0.348
MAK-UNK-148caf23-5
0.346
MAK-UNK-8fdbca50-40
0.346
MAK-UNK-702fb7d3-5
0.346
MAK-UNK-9a6be56d-8
0.346
MAK-UNK-148caf23-4
0.344
MAK-UNK-9a6be56d-15
0.343
MAK-UNK-148caf23-1
0.341
MAK-UNK-9a6be56d-3
0.341
MAK-UNK-8fdbca50-1
0.340
MAK-UNK-702fb7d3-6
0.340
MAK-UNK-702fb7d3-7
0.340
MAK-UNK-702fb7d3-8
0.340
MAK-UNK-148caf23-7
0.338
MAK-UNK-9a6be56d-17
0.338
MAK-UNK-8fdbca50-39
0.338
MAK-UNK-8fdbca50-36
0.338
MAK-UNK-9a6be56d-16
0.333
MAK-UNK-9a6be56d-18
0.333
MAK-UNK-148caf23-8
0.333
MAK-UNK-702fb7d3-11
0.333
MAK-UNK-702fb7d3-12
0.333
MAK-UNK-8fdbca50-38
0.331
MAK-UNK-9a6be56d-12
0.331
MAK-UNK-702fb7d3-10
0.329
MAK-UNK-702fb7d3-9
0.329
MAK-UNK-8fdbca50-37
0.329
MAK-UNK-8fdbca50-33
0.329
MAK-UNK-8fdbca50-41
0.329
MAK-UNK-8fdbca50-32
0.329
MAK-UNK-9a6be56d-9
0.328
ANT-OPE-a517596a-1
0.327
MAK-UNK-8fdbca50-16
0.326
MAK-UNK-8fdbca50-35
0.326
MAK-UNK-9a6be56d-5
0.326
MAK-UNK-148caf23-9
0.326
MAK-UNK-148caf23-10
0.323
MAK-UNK-8fdbca50-34
0.322
MAK-UNK-702fb7d3-4
0.322
MAK-UNK-702fb7d3-1
0.319
MAK-UNK-702fb7d3-2
0.319
MAK-UNK-702fb7d3-13
0.318
MAK-UNK-702fb7d3-14
0.317