Molecular Properties | |
SMILES: | CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccc(C(C)N(C)C(=O)C3CCN(C(=O)CCl)CC3)c2)c1 |
MW: | 589.133 |
Fraction sp3: | 0.38 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 9 |
TPSA: | 91.72 |
cLogP: | 4.2474 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Activated haloaromatics
AAR-POS-d2a4d1df-5
MAK-UNK-8fdbca50-7
0.775
MAK-UNK-8fdbca50-8
0.726
MAK-UNK-8fdbca50-24
0.722
MAK-UNK-8fdbca50-6
0.669
MAK-UNK-8fdbca50-10
0.661
MAK-UNK-8fdbca50-13
0.661
MAK-UNK-8fdbca50-14
0.658
MAK-UNK-8fdbca50-22
0.647
MAK-UNK-8fdbca50-23
0.643
MAK-UNK-8fdbca50-1
0.602
MAK-UNK-8fdbca50-5
0.602
MAK-UNK-8fdbca50-12
0.597
MAK-UNK-8fdbca50-21
0.595
MAK-UNK-8fdbca50-25
0.582
MAK-UNK-8fdbca50-2
0.574
MAK-UNK-8fdbca50-20
0.565
MAK-UNK-8fdbca50-16
0.560
MAK-UNK-8fdbca50-3
0.552
MAK-UNK-8fdbca50-39
0.552
MAK-UNK-8fdbca50-41
0.552
MAK-UNK-8fdbca50-32
0.552
MAK-UNK-8fdbca50-27
0.548
MAK-UNK-8fdbca50-28
0.548
MAK-UNK-8fdbca50-15
0.547
MAK-UNK-8fdbca50-30
0.545
MAK-UNK-8fdbca50-40
0.540
MAK-UNK-8fdbca50-11
0.539
MAK-UNK-8fdbca50-17
0.528
MAK-UNK-8fdbca50-31
0.528
MAK-UNK-8fdbca50-33
0.528
MAK-UNK-8fdbca50-34
0.527
MAK-UNK-8fdbca50-18
0.504
MAK-UNK-8fdbca50-26
0.504
MAK-UNK-8fdbca50-37
0.500
MAK-UNK-8fdbca50-36
0.489
MAK-UNK-8fdbca50-38
0.473
MAK-UNK-8fdbca50-35
0.466
MAK-UNK-de9577cf-20
0.463
MAK-UNK-8fdbca50-4
0.448
MAK-UNK-8fdbca50-19
0.425
MAK-UNK-de9577cf-19
0.424
MAK-UNK-148caf23-18
0.414
MAK-UNK-9a6be56d-18
0.414
MAK-UNK-de9577cf-17
0.408
MAK-UNK-702fb7d3-6
0.407
MAK-UNK-702fb7d3-9
0.394
MAK-UNK-de9577cf-21
0.394
MAK-UNK-de9577cf-16
0.391
MAK-UNK-702fb7d3-13
0.390
MAK-UNK-148caf23-16
0.389
MAK-UNK-702fb7d3-11
0.389
MAK-UNK-702fb7d3-8
0.386
MAK-UNK-702fb7d3-5
0.384
MAK-UNK-702fb7d3-14
0.382
MAK-UNK-702fb7d3-12
0.379
MAK-UNK-702fb7d3-4
0.378
MAK-UNK-702fb7d3-10
0.374
MAK-UNK-9a6be56d-16
0.371
MAK-UNK-148caf23-17
0.371
MAK-UNK-702fb7d3-7
0.368
MAK-UNK-9a6be56d-17
0.367
MAK-UNK-0955449e-15
0.364
MAK-UNK-0955449e-14
0.357
MAK-UNK-de9577cf-2
0.357
MAK-UNK-702fb7d3-1
0.356
YOI-UNK-a533afbc-6
0.354
YOI-UNK-12211982-6
0.354
MAK-UNK-9a6be56d-30
0.352
MAK-UNK-9a6be56d-29
0.352
MAK-UNK-9a6be56d-15
0.352
MAK-UNK-702fb7d3-17
0.352
MAK-UNK-148caf23-15
0.351
MAK-UNK-de9577cf-1
0.351
VIR-GIT-7b3d3065-3
0.350
AAR-POS-0daf6b7e-19
0.350
MAK-UNK-9a6be56d-19
0.350
MAK-UNK-9a6be56d-25
0.349
LON-WEI-120e5cf5-5
0.349
SAD-SAT-29425be4-7
0.349
MAK-UNK-148caf23-7
0.348
MAK-UNK-702fb7d3-3
0.347
MAK-UNK-702fb7d3-2
0.347
MAK-UNK-148caf23-5
0.346
MAK-UNK-9a6be56d-27
0.345
MAK-UNK-9a6be56d-5
0.345
MAK-UNK-de9577cf-22
0.343
MAK-UNK-148caf23-6
0.343
MAK-UNK-148caf23-8
0.343
MAK-UNK-148caf23-14
0.343
MAK-UNK-9a6be56d-14
0.343
MAK-UNK-9a6be56d-31
0.343
MAK-UNK-9a6be56d-3
0.340
MAK-UNK-9a6be56d-26
0.340
SAD-SAT-29425be4-16
0.339
MAK-UNK-de9577cf-10
0.338
MAK-UNK-148caf23-2
0.338
MAK-UNK-0955449e-23
0.336
MAK-UNK-148caf23-19
0.336
MAK-UNK-148caf23-3
0.333
MAK-UNK-148caf23-4
0.333