Molecular Properties | |
SMILES: | CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccc(OC(=O)c3ccc(S(N)(=O)=O)cc3)c2)c1 |
MW: | 543.598 |
Fraction sp3: | 0.08 |
HBA: | 8 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 137.56 |
cLogP: | 3.1172 |
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-17
0.768
MAK-UNK-de9577cf-19
0.716
MAK-UNK-de9577cf-21
0.657
MAK-UNK-de9577cf-7
0.653
MAK-UNK-de9577cf-16
0.650
MAK-UNK-de9577cf-8
0.631
MAK-UNK-de9577cf-6
0.575
MAK-UNK-de9577cf-22
0.565
MAK-UNK-de9577cf-10
0.561
MAK-UNK-de9577cf-11
0.528
MAK-UNK-de9577cf-9
0.523
MAK-UNK-9a6be56d-18
0.518
MAK-UNK-de9577cf-5
0.505
MAK-UNK-de9577cf-1
0.495
MAK-UNK-de9577cf-15
0.491
MAK-UNK-8fdbca50-24
0.487
MAK-UNK-9a6be56d-17
0.471
MAK-UNK-de9577cf-13
0.469
MAK-UNK-148caf23-18
0.469
MAK-UNK-de9577cf-2
0.468
MAK-UNK-8fdbca50-9
0.463
MAK-UNK-de9577cf-12
0.456
MAK-UNK-9a6be56d-15
0.451
MAK-UNK-9a6be56d-16
0.451
MAK-UNK-8fdbca50-23
0.450
MAK-UNK-148caf23-17
0.443
MAK-UNK-8fdbca50-8
0.440
MAK-UNK-de9577cf-4
0.439
MAK-UNK-9a6be56d-32
0.431
MAK-UNK-9a6be56d-30
0.427
MAK-UNK-9a6be56d-31
0.427
MAK-UNK-9a6be56d-19
0.424
MAK-UNK-8fdbca50-22
0.419
MAK-UNK-9a6be56d-29
0.416
MAK-UNK-148caf23-16
0.415
MAK-UNK-9a6be56d-28
0.413
MAK-UNK-9a6be56d-25
0.411
MAK-UNK-8fdbca50-7
0.411
MAK-UNK-9a6be56d-1
0.408
MAK-UNK-9a6be56d-27
0.408
MAK-UNK-9a6be56d-14
0.405
MAK-UNK-9a6be56d-26
0.402
MAK-UNK-de9577cf-3
0.400
MAK-UNK-148caf23-5
0.400
MAK-UNK-9a6be56d-22
0.397
MAK-UNK-8fdbca50-40
0.397
MAK-UNK-148caf23-3
0.397
MAK-UNK-148caf23-15
0.395
MAK-UNK-de9577cf-14
0.392
MAK-UNK-8fdbca50-21
0.391
MAK-UNK-148caf23-2
0.390
MAK-UNK-8fdbca50-6
0.389
MAK-UNK-148caf23-4
0.385
MAK-UNK-148caf23-6
0.385
MAK-UNK-0955449e-22
0.382
MAK-UNK-148caf23-1
0.382
MAK-UNK-9a6be56d-21
0.380
MAK-UNK-8fdbca50-25
0.380
MAK-UNK-0955449e-25
0.380
MAK-UNK-148caf23-7
0.379
MAK-UNK-8fdbca50-1
0.379
MAK-UNK-0955449e-15
0.377
MAK-UNK-148caf23-19
0.377
MAK-UNK-8fdbca50-32
0.377
MAK-UNK-8fdbca50-20
0.377
MAK-UNK-8fdbca50-39
0.377
MAK-UNK-8fdbca50-33
0.377
MAK-UNK-8fdbca50-41
0.377
MAK-UNK-9a6be56d-5
0.375
MAK-UNK-9a6be56d-23
0.375
MAK-UNK-9a6be56d-8
0.375
MAK-UNK-8fdbca50-16
0.374
MAK-UNK-148caf23-8
0.374
MAK-UNK-8fdbca50-10
0.371
MAK-UNK-8fdbca50-38
0.369
MAK-UNK-0955449e-24
0.368
MAK-UNK-8fdbca50-34
0.368
MAK-UNK-702fb7d3-6
0.368
MAK-UNK-702fb7d3-4
0.368
MAK-UNK-702fb7d3-7
0.368
MAK-UNK-702fb7d3-9
0.366
MAK-UNK-8fdbca50-36
0.366
MAK-UNK-8fdbca50-37
0.366
MAK-UNK-702fb7d3-5
0.364
MAK-UNK-8fdbca50-35
0.364
MAK-UNK-148caf23-14
0.363
MAK-UNK-9a6be56d-2
0.362
MAK-UNK-8fdbca50-28
0.362
MAK-UNK-702fb7d3-11
0.360
MAK-UNK-0955449e-28
0.360
MAK-UNK-9a6be56d-3
0.359
MAK-UNK-9a6be56d-24
0.359
MAK-UNK-8fdbca50-5
0.358
MAK-UNK-702fb7d3-8
0.358
MAK-UNK-702fb7d3-1
0.356
MAK-UNK-702fb7d3-2
0.356
MAK-UNK-148caf23-9
0.355
MAK-UNK-0955449e-32
0.354
MAK-UNK-0955449e-13
0.354
MAK-UNK-702fb7d3-14
0.353