Molecular Properties | |
SMILES: | CNCc1cc(-c2ccc(CNc3ccc(C#N)cn3)cc2F)n(S(=O)(=O)c2cccnc2)c1 |
MW: | 476.537 |
Fraction sp3: | 0.12 |
HBA: | 8 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 112.7 |
cLogP: | 3.52438 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Activated haloaromatics
AAR-POS-d2a4d1df-5
MAK-UNK-148caf23-22
0.802
MAK-UNK-148caf23-20
0.683
MAK-UNK-148caf23-23
0.663
MAK-UNK-148caf23-18
0.623
MAK-UNK-148caf23-8
0.606
MAK-UNK-148caf23-16
0.602
MAK-UNK-148caf23-7
0.580
MAK-UNK-148caf23-17
0.578
MAK-UNK-148caf23-9
0.568
MAK-UNK-148caf23-15
0.550
MAK-UNK-148caf23-14
0.549
MAK-UNK-148caf23-6
0.535
MAK-UNK-148caf23-1
0.530
MAK-UNK-148caf23-19
0.526
MAK-UNK-148caf23-10
0.522
MAK-UNK-148caf23-11
0.518
MAK-UNK-148caf23-4
0.509
MAK-UNK-de9577cf-7
0.504
MAK-UNK-148caf23-5
0.500
MAK-UNK-0955449e-35
0.500
MAK-UNK-148caf23-2
0.500
MAK-UNK-9a6be56d-22
0.492
MAK-UNK-148caf23-12
0.491
MAK-UNK-0955449e-32
0.486
MAK-UNK-0955449e-34
0.483
MAK-UNK-148caf23-3
0.483
MAK-UNK-8fdbca50-28
0.464
MAK-UNK-0955449e-33
0.454
MAK-UNK-8fdbca50-13
0.450
MAK-UNK-de9577cf-6
0.442
MAK-UNK-de9577cf-8
0.438
MAK-UNK-9a6be56d-23
0.433
MAK-UNK-de9577cf-4
0.429
MAK-UNK-9a6be56d-27
0.422
MAK-UNK-9a6be56d-21
0.415
MAK-UNK-8fdbca50-30
0.414
MAK-UNK-9a6be56d-6
0.413
MAK-UNK-de9577cf-9
0.411
MAK-UNK-8fdbca50-27
0.408
MAK-UNK-de9577cf-5
0.407
MAK-UNK-9a6be56d-26
0.405
MAK-UNK-8fdbca50-14
0.402
MAK-UNK-9a6be56d-32
0.400
MAK-UNK-de9577cf-1
0.398
MAK-UNK-9a6be56d-24
0.395
MAK-UNK-8fdbca50-33
0.391
MAK-UNK-8fdbca50-40
0.389
MAK-UNK-148caf23-13
0.387
MAK-UNK-9a6be56d-30
0.386
MAK-UNK-9a6be56d-2
0.386
MAK-UNK-de9577cf-10
0.384
MAK-UNK-9a6be56d-28
0.383
MAK-UNK-de9577cf-2
0.383
MAK-UNK-9a6be56d-25
0.382
MAK-UNK-8fdbca50-11
0.382
MAK-UNK-8fdbca50-34
0.382
MAK-UNK-8fdbca50-31
0.381
MAK-UNK-8fdbca50-12
0.380
MAK-UNK-702fb7d3-2
0.380
MAK-UNK-702fb7d3-3
0.380
MAK-UNK-702fb7d3-10
0.379
MAK-UNK-9a6be56d-31
0.376
MAK-UNK-702fb7d3-12
0.374
MAK-UNK-8fdbca50-38
0.373
MAK-UNK-702fb7d3-6
0.372
MAK-UNK-30aad1f1-6
0.372
MAK-UNK-8fdbca50-26
0.370
MAK-UNK-8fdbca50-41
0.370
MAK-UNK-9a6be56d-1
0.368
MAK-UNK-8fdbca50-35
0.368
MAK-UNK-de9577cf-22
0.367
MAK-UNK-702fb7d3-14
0.367
MAK-UNK-9a6be56d-29
0.366
MAK-UNK-9a6be56d-3
0.364
MAK-UNK-de9577cf-19
0.363
MAK-UNK-702fb7d3-8
0.362
MAK-UNK-30aad1f1-7
0.360
MAK-UNK-8fdbca50-32
0.360
MAK-UNK-8fdbca50-39
0.360
MAK-UNK-8fdbca50-15
0.360
MAK-UNK-702fb7d3-9
0.360
MAK-UNK-702fb7d3-5
0.358
MAK-UNK-8fdbca50-16
0.358
MAK-UNK-de9577cf-11
0.357
MAK-UNK-702fb7d3-13
0.357
MAK-UNK-9a6be56d-14
0.356
ANT-OPE-a517596a-1
0.355
MAK-UNK-702fb7d3-11
0.355
MAK-UNK-de9577cf-16
0.354
MAK-UNK-8fdbca50-1
0.353
MAK-UNK-702fb7d3-7
0.353
MAK-UNK-702fb7d3-4
0.353
MAK-UNK-9a6be56d-17
0.351
MAK-UNK-8fdbca50-37
0.350
MAK-UNK-702fb7d3-1
0.350
MAK-UNK-8fdbca50-36
0.350
MAK-UNK-de9577cf-17
0.349
MAK-UNK-9a6be56d-5
0.348
MAK-UNK-30aad1f1-1
0.348
MAK-UNK-de9577cf-20
0.344