Molecular Properties | |
SMILES: | CCNc1ccc(C#N)c(NCc2cc(-c3ccccc3F)n(S(=O)(=O)c3cccnc3)c2)n1 |
MW: | 476.537 |
Fraction sp3: | 0.12 |
HBA: | 8 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 112.7 |
cLogP: | 4.23678 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Activated haloaromatics
AAR-POS-d2a4d1df-5
MAK-UNK-148caf23-2
0.695
MAK-UNK-148caf23-4
0.645
MAK-UNK-148caf23-5
0.636
MAK-UNK-148caf23-1
0.595
MAK-UNK-148caf23-8
0.571
MAK-UNK-148caf23-7
0.561
MAK-UNK-148caf23-6
0.558
MAK-UNK-148caf23-9
0.549
MAK-UNK-de9577cf-1
0.531
MAK-UNK-de9577cf-10
0.513
MAK-UNK-9a6be56d-26
0.504
MAK-UNK-9a6be56d-28
0.504
MAK-UNK-9a6be56d-27
0.500
MAK-UNK-de9577cf-2
0.491
MAK-UNK-148caf23-21
0.483
MAK-UNK-8fdbca50-34
0.477
MAK-UNK-8fdbca50-41
0.476
MAK-UNK-8fdbca50-40
0.476
MAK-UNK-148caf23-22
0.475
MAK-UNK-702fb7d3-8
0.473
MAK-UNK-9a6be56d-29
0.472
MAK-UNK-de9577cf-11
0.470
MAK-UNK-702fb7d3-14
0.469
MAK-UNK-148caf23-10
0.467
MAK-UNK-148caf23-20
0.467
MAK-UNK-702fb7d3-11
0.466
MAK-UNK-702fb7d3-12
0.466
MAK-UNK-8fdbca50-1
0.465
MAK-UNK-8fdbca50-32
0.465
MAK-UNK-8fdbca50-33
0.465
MAK-UNK-9a6be56d-32
0.464
MAK-UNK-148caf23-16
0.462
MAK-UNK-702fb7d3-3
0.462
MAK-UNK-702fb7d3-9
0.462
MAK-UNK-9a6be56d-30
0.460
MAK-UNK-9a6be56d-31
0.460
MAK-UNK-702fb7d3-10
0.459
MAK-UNK-8fdbca50-38
0.457
MAK-UNK-702fb7d3-13
0.455
MAK-UNK-148caf23-14
0.455
MAK-UNK-9a6be56d-25
0.454
MAK-UNK-148caf23-17
0.454
MAK-UNK-148caf23-18
0.454
MAK-UNK-8fdbca50-39
0.453
MAK-UNK-9a6be56d-1
0.452
MAK-UNK-702fb7d3-5
0.452
MAK-UNK-8fdbca50-36
0.450
MAK-UNK-702fb7d3-1
0.450
MAK-UNK-702fb7d3-2
0.450
MAK-UNK-8fdbca50-16
0.450
MAK-UNK-8fdbca50-35
0.450
MAK-UNK-702fb7d3-7
0.443
MAK-UNK-8fdbca50-37
0.439
MAK-UNK-702fb7d3-4
0.432
MAK-UNK-702fb7d3-6
0.432
MAK-UNK-148caf23-15
0.430
MAK-UNK-8fdbca50-17
0.430
MAK-UNK-de9577cf-7
0.426
MAK-UNK-148caf23-23
0.426
MAK-UNK-9a6be56d-3
0.425
MAK-UNK-de9577cf-3
0.424
MAK-UNK-702fb7d3-18
0.418
MAK-UNK-0955449e-32
0.416
MAK-UNK-8fdbca50-2
0.415
MAK-UNK-148caf23-12
0.415
MAK-UNK-702fb7d3-17
0.414
MAK-UNK-702fb7d3-19
0.414
MAK-UNK-148caf23-11
0.413
MAK-UNK-148caf23-19
0.411
MAK-UNK-de9577cf-17
0.411
MAK-UNK-de9577cf-22
0.408
MAK-UNK-9a6be56d-8
0.408
MAK-UNK-de9577cf-19
0.405
MAK-UNK-de9577cf-5
0.403
MAK-UNK-de9577cf-6
0.403
MAK-UNK-702fb7d3-20
0.403
MAK-UNK-702fb7d3-21
0.403
MAK-UNK-de9577cf-4
0.402
MAK-UNK-de9577cf-8
0.400
MAK-UNK-0955449e-34
0.398
MAK-UNK-8fdbca50-18
0.397
MAK-UNK-de9577cf-20
0.397
MAK-UNK-de9577cf-12
0.395
MAK-UNK-de9577cf-16
0.394
MAK-UNK-de9577cf-15
0.390
MAK-UNK-9a6be56d-22
0.386
MAK-UNK-9a6be56d-23
0.386
MAK-UNK-0955449e-33
0.386
MAK-UNK-0955449e-35
0.385
MAK-UNK-8fdbca50-28
0.383
MAK-UNK-9a6be56d-21
0.381
MAK-UNK-9a6be56d-17
0.379
MAK-UNK-8fdbca50-3
0.378
ANT-OPE-a517596a-1
0.377
MAK-UNK-9a6be56d-4
0.377
MAK-UNK-9a6be56d-5
0.376
MAK-UNK-de9577cf-21
0.375
MAK-UNK-9a6be56d-16
0.373
MAK-UNK-8fdbca50-13
0.372
MAK-UNK-8fdbca50-30
0.368