Molecular Properties | |
SMILES: | CNCc1cc(-c2cc(C(C)N(C)C(=O)C3CCN(C(=O)CCl)CC3)ccc2F)n(S(=O)(=O)c2cccnc2)c1 |
MW: | 590.121 |
Fraction sp3: | 0.39 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 9 |
TPSA: | 104.61 |
cLogP: | 3.6424 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Activated haloaromatics
AAR-POS-d2a4d1df-5
MAK-UNK-8fdbca50-13
0.833
MAK-UNK-8fdbca50-30
0.761
MAK-UNK-8fdbca50-12
0.724
MAK-UNK-8fdbca50-28
0.687
MAK-UNK-8fdbca50-15
0.681
MAK-UNK-8fdbca50-11
0.658
MAK-UNK-8fdbca50-9
0.658
MAK-UNK-8fdbca50-27
0.658
MAK-UNK-8fdbca50-31
0.647
MAK-UNK-8fdbca50-7
0.645
MAK-UNK-8fdbca50-26
0.633
MAK-UNK-8fdbca50-1
0.631
MAK-UNK-8fdbca50-8
0.615
MAK-UNK-8fdbca50-2
0.603
MAK-UNK-8fdbca50-16
0.602
MAK-UNK-8fdbca50-3
0.593
MAK-UNK-8fdbca50-5
0.592
MAK-UNK-8fdbca50-6
0.592
MAK-UNK-8fdbca50-32
0.581
MAK-UNK-8fdbca50-39
0.581
MAK-UNK-8fdbca50-41
0.581
MAK-UNK-8fdbca50-40
0.569
MAK-UNK-8fdbca50-10
0.559
MAK-UNK-8fdbca50-17
0.556
MAK-UNK-8fdbca50-20
0.556
MAK-UNK-8fdbca50-33
0.556
MAK-UNK-8fdbca50-34
0.555
MAK-UNK-8fdbca50-23
0.553
MAK-UNK-8fdbca50-18
0.544
MAK-UNK-8fdbca50-22
0.544
MAK-UNK-8fdbca50-24
0.528
MAK-UNK-8fdbca50-37
0.527
MAK-UNK-8fdbca50-36
0.515
MAK-UNK-8fdbca50-21
0.512
MAK-UNK-8fdbca50-35
0.504
MAK-UNK-8fdbca50-38
0.500
MAK-UNK-8fdbca50-25
0.489
MAK-UNK-de9577cf-8
0.468
MAK-UNK-8fdbca50-4
0.463
MAK-UNK-8fdbca50-19
0.451
MAK-UNK-148caf23-22
0.449
MAK-UNK-9a6be56d-23
0.440
MAK-UNK-de9577cf-7
0.426
MAK-UNK-0955449e-34
0.421
MAK-UNK-702fb7d3-5
0.419
MAK-UNK-0955449e-32
0.417
MAK-UNK-de9577cf-6
0.415
MAK-UNK-de9577cf-4
0.414
MAK-UNK-702fb7d3-6
0.411
MAK-UNK-702fb7d3-9
0.408
MAK-UNK-702fb7d3-14
0.406
MAK-UNK-702fb7d3-13
0.404
MAK-UNK-702fb7d3-12
0.403
MAK-UNK-702fb7d3-11
0.403
MAK-UNK-148caf23-21
0.402
MAK-UNK-702fb7d3-4
0.401
MAK-UNK-702fb7d3-8
0.400
MAK-UNK-9a6be56d-22
0.399
MAK-UNK-702fb7d3-10
0.397
MAK-UNK-0955449e-35
0.397
MAK-UNK-de9577cf-1
0.397
MAK-UNK-de9577cf-5
0.394
MAK-UNK-702fb7d3-7
0.392
MAK-UNK-0955449e-33
0.388
MAK-UNK-148caf23-20
0.388
MAK-UNK-9a6be56d-21
0.383
MAK-UNK-de9577cf-2
0.383
MAK-UNK-9a6be56d-6
0.380
MAK-UNK-702fb7d3-1
0.379
MAK-UNK-de9577cf-9
0.378
MAK-UNK-9a6be56d-2
0.376
MAK-UNK-9a6be56d-31
0.376
MAK-UNK-702fb7d3-17
0.375
MAK-UNK-148caf23-7
0.372
MAK-UNK-702fb7d3-2
0.370
MAK-UNK-702fb7d3-3
0.370
MAK-UNK-9a6be56d-27
0.369
PEI-IMP-ca0b2813-1
0.368
MAK-UNK-148caf23-6
0.368
MAK-UNK-148caf23-8
0.368
MAK-UNK-9a6be56d-29
0.366
MAK-UNK-9a6be56d-30
0.366
MAK-UNK-9a6be56d-3
0.364
MAK-UNK-9a6be56d-24
0.364
MAK-UNK-9a6be56d-26
0.364
MAK-UNK-9a6be56d-25
0.363
MAK-UNK-de9577cf-10
0.363
MAK-UNK-148caf23-23
0.363
MAK-UNK-148caf23-2
0.362
MAK-UNK-148caf23-5
0.360
MAK-UNK-de9577cf-11
0.358
MAK-UNK-148caf23-3
0.358
MAK-UNK-148caf23-4
0.358
ANT-OPE-a517596a-1
0.357
MAK-UNK-702fb7d3-19
0.356
MAK-UNK-148caf23-9
0.350
MAK-UNK-9a6be56d-32
0.350
MAK-UNK-de9577cf-22
0.348
MAK-UNK-148caf23-1
0.345
MAK-UNK-9a6be56d-28
0.345