Molecular Properties | |
SMILES: | CC(NCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1)Nc1ccc(C#N)cn1 |
MW: | 476.537 |
Fraction sp3: | 0.12 |
HBA: | 8 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 112.7 |
cLogP: | 3.74058 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
non_ring_acetal
het-C-het not in ring
Methylendiamines (3)
Activated haloaromatics
acyclic N-C-N
geminal_amines
AAR-POS-d2a4d1df-5
MAK-UNK-148caf23-6
0.695
MAK-UNK-148caf23-8
0.695
MAK-UNK-148caf23-9
0.686
MAK-UNK-148caf23-1
0.613
MAK-UNK-148caf23-10
0.604
MAK-UNK-148caf23-4
0.589
MAK-UNK-148caf23-21
0.580
MAK-UNK-148caf23-5
0.580
MAK-UNK-148caf23-22
0.571
MAK-UNK-148caf23-2
0.565
MAK-UNK-148caf23-17
0.562
MAK-UNK-148caf23-14
0.561
MAK-UNK-148caf23-3
0.561
MAK-UNK-148caf23-20
0.561
MAK-UNK-148caf23-16
0.558
MAK-UNK-148caf23-18
0.549
MAK-UNK-8fdbca50-33
0.541
MAK-UNK-148caf23-15
0.535
MAK-UNK-148caf23-11
0.518
MAK-UNK-148caf23-23
0.517
MAK-UNK-148caf23-19
0.513
MAK-UNK-702fb7d3-2
0.512
MAK-UNK-de9577cf-1
0.509
MAK-UNK-148caf23-12
0.504
MAK-UNK-8fdbca50-38
0.484
MAK-UNK-9a6be56d-32
0.480
MAK-UNK-8fdbca50-40
0.480
MAK-UNK-de9577cf-10
0.479
MAK-UNK-8fdbca50-35
0.477
MAK-UNK-de9577cf-11
0.475
MAK-UNK-de9577cf-2
0.470
MAK-UNK-8fdbca50-1
0.469
MAK-UNK-8fdbca50-32
0.469
MAK-UNK-8fdbca50-39
0.469
MAK-UNK-9a6be56d-27
0.468
MAK-UNK-8fdbca50-36
0.466
MAK-UNK-8fdbca50-16
0.465
MAK-UNK-9a6be56d-31
0.465
MAK-UNK-9a6be56d-26
0.461
MAK-UNK-9a6be56d-28
0.461
MAK-UNK-8fdbca50-34
0.458
MAK-UNK-8fdbca50-37
0.455
MAK-UNK-9a6be56d-29
0.453
MAK-UNK-9a6be56d-30
0.453
MAK-UNK-702fb7d3-7
0.447
MAK-UNK-8fdbca50-41
0.446
MAK-UNK-702fb7d3-5
0.445
MAK-UNK-9a6be56d-1
0.445
MAK-UNK-702fb7d3-14
0.440
MAK-UNK-9a6be56d-25
0.436
MAK-UNK-702fb7d3-4
0.436
MAK-UNK-702fb7d3-6
0.436
MAK-UNK-8fdbca50-17
0.434
MAK-UNK-702fb7d3-1
0.433
MAK-UNK-702fb7d3-3
0.433
MAK-UNK-702fb7d3-9
0.433
MAK-UNK-8fdbca50-2
0.431
MAK-UNK-702fb7d3-10
0.431
MAK-UNK-702fb7d3-13
0.428
MAK-UNK-702fb7d3-12
0.426
MAK-UNK-9a6be56d-8
0.423
MAK-UNK-8fdbca50-18
0.423
MAK-UNK-9a6be56d-3
0.419
MAK-UNK-702fb7d3-11
0.416
MAK-UNK-702fb7d3-8
0.413
MAK-UNK-148caf23-13
0.411
MAK-UNK-de9577cf-12
0.411
MAK-UNK-0955449e-32
0.409
MAK-UNK-702fb7d3-17
0.407
MAK-UNK-702fb7d3-19
0.407
MAK-UNK-8fdbca50-3
0.403
MAK-UNK-702fb7d3-18
0.401
MAK-UNK-8fdbca50-28
0.398
MAK-UNK-de9577cf-19
0.398
MAK-UNK-de9577cf-7
0.397
MAK-UNK-de9577cf-3
0.393
MAK-UNK-0955449e-34
0.392
MAK-UNK-0955449e-33
0.391
MAK-UNK-de9577cf-22
0.391
MAK-UNK-702fb7d3-20
0.387
MAK-UNK-702fb7d3-21
0.387
MAK-UNK-8fdbca50-23
0.386
MAK-UNK-de9577cf-5
0.386
MAK-UNK-de9577cf-6
0.386
MAK-UNK-de9577cf-4
0.384
MAK-UNK-8fdbca50-30
0.383
MAK-UNK-de9577cf-8
0.383
MAK-UNK-de9577cf-17
0.383
MAK-UNK-8fdbca50-20
0.382
MAK-UNK-de9577cf-20
0.379
MAK-UNK-8fdbca50-27
0.378
MAK-UNK-8fdbca50-13
0.377
MAK-UNK-8fdbca50-5
0.374
MAK-UNK-8fdbca50-11
0.374
MAK-UNK-9a6be56d-9
0.373
MAK-UNK-9a6be56d-17
0.373
MAK-UNK-8fdbca50-14
0.372
MAK-UNK-8fdbca50-12
0.371
MAK-UNK-9a6be56d-23
0.370
MAK-UNK-8fdbca50-22
0.370