Molecular Properties | |
SMILES: | CNCc1cc(-c2cccc(OC(=O)c3ccc(S(N)(=O)=O)cc3)c2F)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
Ester
Phenylester
MAT-POS-7dfc56d9-1
MAK-UNK-de9577cf-9
0.706
MAK-UNK-de9577cf-7
0.686
MAK-UNK-de9577cf-8
0.680
MAK-UNK-de9577cf-5
0.638
MAK-UNK-de9577cf-16
0.591
MAK-UNK-de9577cf-19
0.585
MAK-UNK-de9577cf-20
0.575
MAK-UNK-de9577cf-10
0.564
MAK-UNK-de9577cf-17
0.559
MAK-UNK-de9577cf-4
0.550
MAK-UNK-de9577cf-22
0.540
MAK-UNK-9a6be56d-21
0.538
MAK-UNK-de9577cf-11
0.532
MAK-UNK-de9577cf-13
0.527
MAK-UNK-de9577cf-21
0.513
MAK-UNK-de9577cf-15
0.509
MAK-UNK-148caf23-20
0.500
MAK-UNK-8fdbca50-27
0.492
MAK-UNK-de9577cf-1
0.487
MAK-UNK-9a6be56d-22
0.484
MAK-UNK-de9577cf-12
0.474
MAK-UNK-9a6be56d-23
0.472
MAK-UNK-8fdbca50-12
0.469
MAK-UNK-9a6be56d-2
0.468
MAK-UNK-0955449e-32
0.463
MAK-UNK-de9577cf-2
0.460
MAK-UNK-9a6be56d-24
0.455
MAK-UNK-148caf23-22
0.445
MAK-UNK-148caf23-21
0.442
MAK-UNK-9a6be56d-6
0.439
MAK-UNK-9a6be56d-32
0.437
MAK-UNK-0955449e-35
0.434
MAK-UNK-8fdbca50-28
0.433
MAK-UNK-9a6be56d-30
0.433
MAK-UNK-9a6be56d-31
0.433
MAK-UNK-8fdbca50-30
0.429
MAK-UNK-0955449e-34
0.427
MAK-UNK-9a6be56d-29
0.422
MAK-UNK-9a6be56d-28
0.419
MAK-UNK-0955449e-33
0.418
MAK-UNK-9a6be56d-25
0.417
MAK-UNK-8fdbca50-14
0.415
MAK-UNK-8fdbca50-26
0.415
MAK-UNK-9a6be56d-27
0.414
MAK-UNK-9a6be56d-1
0.414
MAK-UNK-8fdbca50-13
0.409
MAK-UNK-9a6be56d-26
0.408
MAK-UNK-de9577cf-3
0.407
MAK-UNK-8fdbca50-11
0.406
MAK-UNK-148caf23-3
0.403
MAK-UNK-148caf23-23
0.398
MAK-UNK-de9577cf-14
0.398
MAK-UNK-148caf23-2
0.397
MAK-UNK-148caf23-5
0.395
MAK-UNK-8fdbca50-31
0.394
MAK-UNK-8fdbca50-40
0.392
MAK-UNK-148caf23-6
0.392
MAK-UNK-148caf23-4
0.392
MAK-UNK-9a6be56d-14
0.389
MAK-UNK-148caf23-1
0.389
MAK-UNK-148caf23-7
0.386
MAK-UNK-9a6be56d-17
0.385
MAK-UNK-702fb7d3-5
0.382
MAK-UNK-148caf23-8
0.381
MAK-UNK-8fdbca50-38
0.376
MAK-UNK-8fdbca50-1
0.375
MAK-UNK-702fb7d3-7
0.375
MAK-UNK-702fb7d3-6
0.375
MAK-UNK-702fb7d3-8
0.374
MAK-UNK-8fdbca50-39
0.373
MAK-UNK-8fdbca50-41
0.373
MAK-UNK-8fdbca50-32
0.373
MAK-UNK-8fdbca50-33
0.373
MAK-UNK-8fdbca50-15
0.372
MAK-UNK-8fdbca50-36
0.372
MAK-UNK-702fb7d3-9
0.372
MAK-UNK-9a6be56d-8
0.371
MAK-UNK-8fdbca50-35
0.370
MAK-UNK-8fdbca50-16
0.370
MAK-UNK-9a6be56d-18
0.369
MAK-UNK-9a6be56d-16
0.368
MAK-UNK-702fb7d3-11
0.367
MAK-UNK-702fb7d3-12
0.367
MAK-UNK-9a6be56d-3
0.366
MAK-UNK-9a6be56d-10
0.366
MAK-UNK-8fdbca50-34
0.365
MAK-UNK-702fb7d3-4
0.365
MAK-UNK-702fb7d3-1
0.362
MAK-UNK-8fdbca50-37
0.362
MAK-UNK-702fb7d3-2
0.362
MAK-UNK-148caf23-9
0.362
MAK-UNK-702fb7d3-14
0.360
MAK-UNK-702fb7d3-13
0.359
MAK-UNK-9a6be56d-15
0.358
MAK-UNK-148caf23-17
0.357
MAK-UNK-8fdbca50-23
0.356
MAK-UNK-702fb7d3-3
0.353
MAK-UNK-702fb7d3-10
0.352
MAK-UNK-9a6be56d-5
0.351
MAK-UNK-8fdbca50-8
0.350