Molecular Properties | |
SMILES: | CNCc1cc(-c2cccc(C(C)N(C)C(=O)C3CCN(C(=O)CCl)CC3)c2F)n(S(=O)(=O)c2cccnc2)c1 |
MW: | 590.121 |
Fraction sp3: | 0.39 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 9 |
TPSA: | 104.61 |
cLogP: | 3.6424 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Activated haloaromatics
AAR-POS-d2a4d1df-5
MAK-UNK-8fdbca50-14
0.724
MAK-UNK-8fdbca50-27
0.722
MAK-UNK-8fdbca50-15
0.714
MAK-UNK-8fdbca50-13
0.712
MAK-UNK-8fdbca50-11
0.664
MAK-UNK-8fdbca50-30
0.661
MAK-UNK-8fdbca50-28
0.636
MAK-UNK-8fdbca50-26
0.626
MAK-UNK-8fdbca50-31
0.613
MAK-UNK-8fdbca50-1
0.611
MAK-UNK-8fdbca50-6
0.598
MAK-UNK-8fdbca50-7
0.598
MAK-UNK-8fdbca50-9
0.597
MAK-UNK-8fdbca50-8
0.595
MAK-UNK-8fdbca50-2
0.584
MAK-UNK-8fdbca50-16
0.583
MAK-UNK-8fdbca50-41
0.575
MAK-UNK-8fdbca50-5
0.574
MAK-UNK-8fdbca50-40
0.563
MAK-UNK-8fdbca50-32
0.562
MAK-UNK-8fdbca50-3
0.562
MAK-UNK-8fdbca50-39
0.562
MAK-UNK-8fdbca50-17
0.551
MAK-UNK-8fdbca50-10
0.542
MAK-UNK-8fdbca50-22
0.539
MAK-UNK-8fdbca50-20
0.538
MAK-UNK-8fdbca50-33
0.538
MAK-UNK-8fdbca50-34
0.538
MAK-UNK-8fdbca50-23
0.535
MAK-UNK-8fdbca50-18
0.527
MAK-UNK-8fdbca50-24
0.524
MAK-UNK-8fdbca50-37
0.511
MAK-UNK-8fdbca50-21
0.508
MAK-UNK-8fdbca50-38
0.508
MAK-UNK-8fdbca50-36
0.500
MAK-UNK-8fdbca50-35
0.478
MAK-UNK-8fdbca50-25
0.474
MAK-UNK-de9577cf-6
0.469
MAK-UNK-148caf23-20
0.450
MAK-UNK-8fdbca50-4
0.449
MAK-UNK-8fdbca50-19
0.438
MAK-UNK-9a6be56d-21
0.432
MAK-UNK-de9577cf-4
0.423
MAK-UNK-de9577cf-7
0.414
MAK-UNK-702fb7d3-8
0.408
MAK-UNK-702fb7d3-9
0.407
MAK-UNK-0955449e-32
0.403
MAK-UNK-de9577cf-5
0.403
MAK-UNK-702fb7d3-13
0.403
MAK-UNK-702fb7d3-11
0.401
MAK-UNK-702fb7d3-12
0.401
MAK-UNK-de9577cf-8
0.400
MAK-UNK-702fb7d3-6
0.400
MAK-UNK-702fb7d3-5
0.397
MAK-UNK-0955449e-35
0.396
MAK-UNK-702fb7d3-14
0.395
MAK-UNK-0955449e-34
0.388
MAK-UNK-9a6be56d-6
0.388
MAK-UNK-9a6be56d-23
0.387
MAK-UNK-702fb7d3-10
0.387
MAK-UNK-9a6be56d-2
0.385
MAK-UNK-148caf23-22
0.382
MAK-UNK-702fb7d3-7
0.381
MAK-UNK-148caf23-21
0.380
MAK-UNK-9a6be56d-22
0.378
MAK-UNK-de9577cf-9
0.377
MAK-UNK-0955449e-33
0.376
MAK-UNK-de9577cf-1
0.375
MAK-UNK-702fb7d3-4
0.372
MAK-UNK-148caf23-7
0.371
MAK-UNK-de9577cf-2
0.371
MAK-UNK-702fb7d3-1
0.369
MAK-UNK-702fb7d3-2
0.369
MAK-UNK-148caf23-6
0.367
MAK-UNK-9a6be56d-29
0.366
MAK-UNK-702fb7d3-17
0.365
MAK-UNK-de9577cf-10
0.362
MAK-UNK-702fb7d3-3
0.360
MAK-UNK-148caf23-8
0.357
MAK-UNK-9a6be56d-30
0.356
MAK-UNK-9a6be56d-31
0.356
MAK-UNK-9a6be56d-3
0.354
MAK-UNK-9a6be56d-24
0.354
MAK-UNK-9a6be56d-28
0.354
MAK-UNK-9a6be56d-26
0.354
MAK-UNK-9a6be56d-25
0.353
MAK-UNK-148caf23-23
0.353
MAK-UNK-148caf23-2
0.352
MAK-UNK-148caf23-5
0.350
MAK-UNK-9a6be56d-27
0.349
MAK-UNK-de9577cf-11
0.348
MAK-UNK-148caf23-3
0.348
MAK-UNK-148caf23-4
0.348
MAK-UNK-702fb7d3-19
0.347
MAK-UNK-148caf23-1
0.345
PEI-IMP-ca0b2813-1
0.342
MAK-UNK-148caf23-9
0.340
MAK-UNK-9a6be56d-32
0.340
MAK-UNK-de9577cf-22
0.338
MAK-UNK-de9577cf-20
0.336