Molecular Properties | |
SMILES: | CC(C)N(C)C(=O)C1CCN(/C(=C\NCc2cc(-c3ccccc3F)n(S(=O)(=O)c3cccnc3)c2)CCl)CC1 |
MW: | 588.149 |
Fraction sp3: | 0.38 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 10 |
TPSA: | 87.54 |
cLogP: | 4.6748 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
Filter3_allyl_halide
Filter45_allyl_halide2
Alkyl Halide
AAR-POS-d2a4d1df-5
MAK-UNK-8fdbca50-32
0.730
MAK-UNK-8fdbca50-39
0.730
MAK-UNK-8fdbca50-33
0.716
MAK-UNK-8fdbca50-1
0.683
MAK-UNK-8fdbca50-35
0.653
MAK-UNK-8fdbca50-2
0.642
MAK-UNK-8fdbca50-16
0.639
MAK-UNK-8fdbca50-36
0.637
MAK-UNK-8fdbca50-41
0.631
MAK-UNK-8fdbca50-37
0.624
MAK-UNK-702fb7d3-3
0.611
MAK-UNK-8fdbca50-40
0.607
MAK-UNK-8fdbca50-17
0.607
MAK-UNK-8fdbca50-3
0.592
MAK-UNK-8fdbca50-38
0.571
MAK-UNK-8fdbca50-13
0.558
MAK-UNK-8fdbca50-18
0.556
MAK-UNK-8fdbca50-14
0.555
MAK-UNK-8fdbca50-5
0.554
MAK-UNK-8fdbca50-28
0.539
MAK-UNK-8fdbca50-8
0.538
MAK-UNK-8fdbca50-12
0.538
MAK-UNK-8fdbca50-30
0.535
MAK-UNK-8fdbca50-20
0.531
MAK-UNK-8fdbca50-7
0.530
MAK-UNK-8fdbca50-11
0.530
MAK-UNK-8fdbca50-6
0.530
MAK-UNK-8fdbca50-9
0.527
MAK-UNK-8fdbca50-26
0.519
MAK-UNK-8fdbca50-23
0.516
MAK-UNK-8fdbca50-27
0.515
MAK-UNK-8fdbca50-10
0.511
MAK-UNK-8fdbca50-22
0.508
MAK-UNK-702fb7d3-9
0.504
MAK-UNK-702fb7d3-10
0.500
MAK-UNK-8fdbca50-21
0.500
MAK-UNK-702fb7d3-14
0.500
MAK-UNK-702fb7d3-13
0.496
MAK-UNK-702fb7d3-12
0.496
MAK-UNK-702fb7d3-7
0.496
MAK-UNK-702fb7d3-5
0.496
MAK-UNK-702fb7d3-8
0.493
MAK-UNK-8fdbca50-15
0.493
MAK-UNK-8fdbca50-24
0.492
MAK-UNK-de9577cf-2
0.488
MAK-UNK-702fb7d3-11
0.486
MAK-UNK-9a6be56d-25
0.485
MAK-UNK-702fb7d3-4
0.485
MAK-UNK-de9577cf-10
0.484
MAK-UNK-702fb7d3-1
0.482
MAK-UNK-702fb7d3-2
0.482
MAK-UNK-9a6be56d-29
0.481
MAK-UNK-148caf23-5
0.480
MAK-UNK-8fdbca50-25
0.478
MAK-UNK-9a6be56d-26
0.478
MAK-UNK-148caf23-3
0.477
MAK-UNK-148caf23-8
0.477
MAK-UNK-de9577cf-1
0.476
MAK-UNK-8fdbca50-31
0.474
MAK-UNK-9a6be56d-27
0.474
MAK-UNK-148caf23-2
0.469
MAK-UNK-9a6be56d-28
0.467
MAK-UNK-148caf23-4
0.465
MAK-UNK-702fb7d3-6
0.464
MAK-UNK-9a6be56d-30
0.459
MAK-UNK-9a6be56d-31
0.459
MAK-UNK-148caf23-7
0.458
MAK-UNK-702fb7d3-17
0.457
MAK-UNK-148caf23-6
0.454
MAK-UNK-9a6be56d-32
0.452
MAK-UNK-148caf23-1
0.450
MAK-UNK-9a6be56d-3
0.448
MAK-UNK-702fb7d3-19
0.446
MAK-UNK-de9577cf-11
0.445
MAK-UNK-9a6be56d-1
0.441
MAK-UNK-702fb7d3-18
0.440
MAK-UNK-702fb7d3-21
0.436
MAK-UNK-148caf23-9
0.435
MAK-UNK-8fdbca50-4
0.432
MAK-UNK-8fdbca50-19
0.431
MAK-UNK-9a6be56d-8
0.420
MAK-UNK-702fb7d3-20
0.415
MAK-UNK-de9577cf-3
0.403
MAK-UNK-de9577cf-12
0.388
MAK-UNK-148caf23-21
0.382
MAK-UNK-9a6be56d-4
0.381
MAK-UNK-9a6be56d-5
0.380
MAK-UNK-de9577cf-22
0.380
MAK-UNK-148caf23-14
0.380
MAK-UNK-de9577cf-16
0.377
MAK-UNK-de9577cf-7
0.375
MAK-UNK-de9577cf-4
0.373
MAK-UNK-148caf23-10
0.370
MAK-UNK-de9577cf-20
0.368
MAK-UNK-9a6be56d-14
0.368
MAK-UNK-de9577cf-19
0.366
MAK-UNK-148caf23-22
0.365
MAK-UNK-de9577cf-6
0.365
MAK-UNK-de9577cf-17
0.362
MAK-UNK-de9577cf-8
0.362