Molecular Properties | |
SMILES: | CNCc1cn(S(=O)(=O)c2cccnc2)c(-c2ccccc2F)c1OC(=O)c1ccc(S(N)(=O)=O)cc1 |
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-15
0.585
MAK-UNK-de9577cf-10
0.541
MAK-UNK-de9577cf-7
0.541
MAK-UNK-de9577cf-8
0.536
MAK-UNK-de9577cf-6
0.527
MAK-UNK-de9577cf-11
0.523
MAK-UNK-de9577cf-12
0.518
MAK-UNK-9a6be56d-10
0.508
MAK-UNK-de9577cf-9
0.504
MAK-UNK-de9577cf-5
0.500
MAK-UNK-de9577cf-22
0.491
MAK-UNK-de9577cf-19
0.491
MAK-UNK-de9577cf-14
0.487
MAK-UNK-de9577cf-17
0.483
MAK-UNK-de9577cf-16
0.475
MAK-UNK-de9577cf-20
0.469
MAK-UNK-148caf23-11
0.461
MAK-UNK-de9577cf-21
0.454
MAK-UNK-de9577cf-1
0.453
MAK-UNK-de9577cf-2
0.439
MAK-UNK-de9577cf-4
0.436
MAK-UNK-de9577cf-3
0.435
MAK-UNK-9a6be56d-32
0.417
MAK-UNK-9a6be56d-30
0.403
MAK-UNK-9a6be56d-31
0.403
MAK-UNK-9a6be56d-1
0.395
MAK-UNK-9a6be56d-29
0.392
MAK-UNK-9a6be56d-12
0.391
MAK-UNK-9a6be56d-28
0.389
MAK-UNK-9a6be56d-23
0.385
MAK-UNK-702fb7d3-21
0.381
MAK-UNK-9a6be56d-25
0.378
MAK-UNK-9a6be56d-9
0.377
MAK-UNK-9a6be56d-22
0.374
MAK-UNK-9a6be56d-8
0.374
MAK-UNK-9a6be56d-2
0.371
MAK-UNK-9a6be56d-14
0.371
MAK-UNK-0955449e-31
0.368
MAK-UNK-148caf23-12
0.368
MAK-UNK-0955449e-30
0.364
MAK-UNK-8fdbca50-18
0.364
MAK-UNK-9a6be56d-27
0.364
MAK-UNK-148caf23-3
0.362
MAK-UNK-148caf23-10
0.362
MAK-UNK-148caf23-1
0.359
MAK-UNK-9a6be56d-24
0.359
MAK-UNK-9a6be56d-26
0.358
MAK-UNK-8fdbca50-38
0.358
MAK-UNK-9a6be56d-21
0.358
MAK-UNK-148caf23-2
0.357
MAK-UNK-148caf23-5
0.354
MAK-UNK-148caf23-9
0.354
MAK-UNK-9a6be56d-11
0.353
MAK-UNK-148caf23-4
0.352
MAK-UNK-148caf23-8
0.352
MAK-UNK-148caf23-6
0.352
MAK-UNK-0955449e-29
0.349
MAK-UNK-702fb7d3-7
0.348
MAK-UNK-8fdbca50-1
0.348
MAK-UNK-8fdbca50-34
0.348
MAK-UNK-148caf23-7
0.346
MAK-UNK-8fdbca50-32
0.346
MAK-UNK-8fdbca50-39
0.346
MAK-UNK-8fdbca50-41
0.346
MAK-UNK-702fb7d3-1
0.345
MAK-UNK-8fdbca50-36
0.345
MAK-UNK-8fdbca50-37
0.345
MAK-UNK-8fdbca50-40
0.343
MAK-UNK-702fb7d3-5
0.343
MAK-UNK-8fdbca50-17
0.343
MAK-UNK-8fdbca50-16
0.343
MAK-UNK-148caf23-20
0.341
MAK-UNK-702fb7d3-20
0.341
MAK-UNK-702fb7d3-12
0.340
MAK-UNK-9a6be56d-3
0.338
MAK-UNK-702fb7d3-4
0.338
MAK-UNK-148caf23-23
0.336
MAK-UNK-148caf23-22
0.336
MAK-UNK-8fdbca50-3
0.336
MAK-UNK-8fdbca50-33
0.336
MAK-UNK-702fb7d3-2
0.336
MAK-UNK-702fb7d3-3
0.336
MAK-UNK-702fb7d3-18
0.336
MAK-UNK-702fb7d3-9
0.336
MAK-UNK-8fdbca50-35
0.333
MAK-UNK-702fb7d3-14
0.333
MAK-UNK-9a6be56d-4
0.333
MAK-UNK-702fb7d3-17
0.331
MAK-UNK-8fdbca50-2
0.331
MAK-UNK-702fb7d3-8
0.329
MAK-UNK-702fb7d3-6
0.329
MAK-UNK-702fb7d3-10
0.326
MAK-UNK-8fdbca50-30
0.326
MAK-UNK-702fb7d3-13
0.324
MAK-UNK-9a6be56d-6
0.323
MAK-UNK-148caf23-21
0.323
MAK-UNK-702fb7d3-11
0.322
MAK-UNK-702fb7d3-19
0.321
MAK-UNK-9a6be56d-15
0.321
MAK-UNK-8fdbca50-27
0.321