Molecular Properties | |
SMILES: | CCNc1ccc(C#N)cc1NCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1 |
MW: | 475.549 |
Fraction sp3: | 0.12 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 99.81 |
cLogP: | 4.84178 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Activated haloaromatics
AAR-POS-d2a4d1df-5
MAK-UNK-148caf23-4
0.733
MAK-UNK-148caf23-2
0.670
MAK-UNK-148caf23-3
0.636
MAK-UNK-148caf23-6
0.606
MAK-UNK-148caf23-8
0.591
MAK-UNK-148caf23-1
0.586
MAK-UNK-148caf23-7
0.580
MAK-UNK-148caf23-9
0.568
MAK-UNK-9a6be56d-26
0.546
MAK-UNK-9a6be56d-28
0.533
MAK-UNK-de9577cf-1
0.522
MAK-UNK-9a6be56d-27
0.517
MAK-UNK-702fb7d3-11
0.516
MAK-UNK-de9577cf-10
0.504
MAK-UNK-702fb7d3-12
0.504
MAK-UNK-702fb7d3-8
0.500
MAK-UNK-148caf23-21
0.500
MAK-UNK-de9577cf-2
0.495
MAK-UNK-148caf23-22
0.491
MAK-UNK-148caf23-16
0.491
MAK-UNK-702fb7d3-3
0.488
MAK-UNK-148caf23-20
0.483
MAK-UNK-148caf23-10
0.483
MAK-UNK-148caf23-14
0.483
MAK-UNK-8fdbca50-34
0.480
MAK-UNK-8fdbca50-40
0.480
MAK-UNK-702fb7d3-5
0.480
MAK-UNK-702fb7d3-9
0.477
MAK-UNK-de9577cf-11
0.474
MAK-UNK-702fb7d3-10
0.473
MAK-UNK-702fb7d3-14
0.473
MAK-UNK-148caf23-17
0.470
MAK-UNK-148caf23-18
0.470
MAK-UNK-8fdbca50-1
0.469
MAK-UNK-8fdbca50-39
0.468
MAK-UNK-8fdbca50-41
0.468
MAK-UNK-8fdbca50-33
0.468
MAK-UNK-9a6be56d-1
0.468
MAK-UNK-9a6be56d-32
0.468
MAK-UNK-702fb7d3-2
0.465
MAK-UNK-9a6be56d-30
0.464
MAK-UNK-9a6be56d-29
0.464
MAK-UNK-9a6be56d-31
0.464
MAK-UNK-8fdbca50-38
0.460
MAK-UNK-702fb7d3-13
0.459
MAK-UNK-702fb7d3-7
0.457
MAK-UNK-9a6be56d-25
0.457
MAK-UNK-8fdbca50-32
0.457
MAK-UNK-702fb7d3-1
0.454
MAK-UNK-8fdbca50-36
0.454
MAK-UNK-8fdbca50-35
0.453
MAK-UNK-8fdbca50-16
0.453
MAK-UNK-702fb7d3-4
0.446
MAK-UNK-148caf23-15
0.445
MAK-UNK-8fdbca50-17
0.444
MAK-UNK-8fdbca50-37
0.443
MAK-UNK-702fb7d3-6
0.435
MAK-UNK-9a6be56d-8
0.433
MAK-UNK-702fb7d3-18
0.432
MAK-UNK-148caf23-23
0.430
MAK-UNK-8fdbca50-2
0.430
MAK-UNK-9a6be56d-3
0.429
MAK-UNK-148caf23-11
0.429
MAK-UNK-702fb7d3-17
0.427
MAK-UNK-702fb7d3-19
0.427
MAK-UNK-de9577cf-17
0.426
MAK-UNK-148caf23-19
0.426
MAK-UNK-0955449e-32
0.420
MAK-UNK-148caf23-12
0.418
MAK-UNK-de9577cf-4
0.417
MAK-UNK-de9577cf-3
0.415
MAK-UNK-de9577cf-22
0.411
MAK-UNK-de9577cf-7
0.407
MAK-UNK-702fb7d3-20
0.406
MAK-UNK-0955449e-34
0.402
MAK-UNK-de9577cf-20
0.400
MAK-UNK-de9577cf-19
0.397
MAK-UNK-702fb7d3-21
0.396
MAK-UNK-de9577cf-6
0.395
MAK-UNK-de9577cf-8
0.392
MAK-UNK-8fdbca50-3
0.391
MAK-UNK-0955449e-33
0.389
MAK-UNK-9a6be56d-23
0.389
MAK-UNK-8fdbca50-18
0.389
MAK-UNK-9a6be56d-22
0.389
MAK-UNK-0955449e-35
0.388
MAK-UNK-de9577cf-12
0.387
MAK-UNK-8fdbca50-28
0.386
MAK-UNK-de9577cf-16
0.386
MAK-UNK-de9577cf-5
0.384
MAK-UNK-8fdbca50-20
0.381
MAK-UNK-9a6be56d-6
0.380
MAK-UNK-9a6be56d-16
0.376
MAK-UNK-9a6be56d-14
0.376
MAK-UNK-8fdbca50-27
0.376
MAK-UNK-9a6be56d-21
0.373
MAK-UNK-8fdbca50-5
0.372
MAK-UNK-9a6be56d-17
0.371
MAK-UNK-8fdbca50-30
0.371
MAK-UNK-9a6be56d-9
0.371