Molecular Properties | |
SMILES: | CC(C)N(C)C(=O)C1CCN(C(=O)C(Cl)NCc2cc(-c3ccccc3F)n(S(=O)(=O)c3cccnc3)c2)CC1 |
MW: | 590.121 |
Fraction sp3: | 0.39 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 9 |
TPSA: | 104.61 |
cLogP: | 3.6861 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
alpha_halo_amine
alpha_halo_heteroatom
secondary_halide_sulfate
Activated haloaromatics
Filter52_NC_haloamine
N-C-Hal or cyano methyl
AAR-POS-d2a4d1df-5
MAK-UNK-8fdbca50-32
0.719
MAK-UNK-8fdbca50-34
0.716
MAK-UNK-8fdbca50-1
0.672
MAK-UNK-8fdbca50-35
0.642
MAK-UNK-8fdbca50-39
0.633
MAK-UNK-8fdbca50-2
0.630
MAK-UNK-702fb7d3-2
0.626
MAK-UNK-8fdbca50-36
0.626
MAK-UNK-8fdbca50-16
0.615
MAK-UNK-8fdbca50-37
0.613
MAK-UNK-8fdbca50-41
0.607
MAK-UNK-8fdbca50-17
0.582
MAK-UNK-8fdbca50-40
0.582
MAK-UNK-8fdbca50-3
0.581
MAK-UNK-8fdbca50-38
0.560
MAK-UNK-8fdbca50-13
0.559
MAK-UNK-8fdbca50-18
0.556
MAK-UNK-8fdbca50-14
0.556
MAK-UNK-8fdbca50-5
0.543
MAK-UNK-148caf23-7
0.541
MAK-UNK-8fdbca50-12
0.538
MAK-UNK-8fdbca50-7
0.531
MAK-UNK-8fdbca50-11
0.531
MAK-UNK-8fdbca50-9
0.528
MAK-UNK-8fdbca50-28
0.528
MAK-UNK-8fdbca50-8
0.527
MAK-UNK-8fdbca50-30
0.524
MAK-UNK-8fdbca50-6
0.508
MAK-UNK-8fdbca50-23
0.504
MAK-UNK-8fdbca50-27
0.504
MAK-UNK-de9577cf-1
0.500
MAK-UNK-de9577cf-2
0.500
MAK-UNK-148caf23-6
0.500
MAK-UNK-8fdbca50-26
0.496
MAK-UNK-8fdbca50-20
0.496
MAK-UNK-8fdbca50-22
0.496
MAK-UNK-8fdbca50-10
0.489
MAK-UNK-702fb7d3-7
0.485
MAK-UNK-de9577cf-10
0.484
MAK-UNK-8fdbca50-15
0.481
MAK-UNK-9a6be56d-31
0.481
MAK-UNK-8fdbca50-24
0.480
MAK-UNK-8fdbca50-21
0.477
MAK-UNK-148caf23-8
0.476
MAK-UNK-8fdbca50-31
0.474
MAK-UNK-9a6be56d-27
0.473
MAK-UNK-702fb7d3-5
0.473
MAK-UNK-148caf23-1
0.472
MAK-UNK-9a6be56d-29
0.470
MAK-UNK-148caf23-2
0.469
MAK-UNK-148caf23-5
0.468
MAK-UNK-9a6be56d-26
0.466
MAK-UNK-8fdbca50-25
0.466
MAK-UNK-9a6be56d-28
0.466
MAK-UNK-148caf23-3
0.465
MAK-UNK-148caf23-4
0.465
MAK-UNK-702fb7d3-11
0.464
MAK-UNK-702fb7d3-12
0.464
MAK-UNK-702fb7d3-4
0.463
MAK-UNK-9a6be56d-32
0.462
MAK-UNK-702fb7d3-8
0.460
MAK-UNK-702fb7d3-9
0.460
MAK-UNK-702fb7d3-1
0.460
MAK-UNK-9a6be56d-30
0.459
MAK-UNK-148caf23-9
0.457
MAK-UNK-702fb7d3-14
0.457
MAK-UNK-de9577cf-11
0.456
MAK-UNK-702fb7d3-13
0.454
MAK-UNK-702fb7d3-6
0.453
MAK-UNK-9a6be56d-1
0.451
MAK-UNK-702fb7d3-3
0.449
MAK-UNK-9a6be56d-3
0.447
MAK-UNK-702fb7d3-10
0.447
MAK-UNK-702fb7d3-17
0.445
MAK-UNK-9a6be56d-25
0.442
MAK-UNK-9a6be56d-8
0.440
MAK-UNK-702fb7d3-18
0.439
MAK-UNK-702fb7d3-19
0.424
MAK-UNK-8fdbca50-4
0.420
MAK-UNK-702fb7d3-20
0.414
MAK-UNK-de9577cf-3
0.413
MAK-UNK-8fdbca50-19
0.409
MAK-UNK-de9577cf-12
0.408
MAK-UNK-9a6be56d-5
0.399
MAK-UNK-702fb7d3-21
0.394
MAK-UNK-148caf23-22
0.394
MAK-UNK-de9577cf-4
0.392
MAK-UNK-148caf23-21
0.391
MAK-UNK-148caf23-10
0.388
MAK-UNK-148caf23-14
0.388
MAK-UNK-de9577cf-7
0.383
MAK-UNK-9a6be56d-4
0.380
MAK-UNK-de9577cf-22
0.378
MAK-UNK-de9577cf-20
0.377
MAK-UNK-9a6be56d-14
0.376
MAK-UNK-de9577cf-16
0.375
MAK-UNK-de9577cf-19
0.374
MAK-UNK-de9577cf-5
0.373
MAK-UNK-de9577cf-6
0.373
MAK-UNK-148caf23-16
0.373