Molecular Properties | |
SMILES: | O=C(CCl)N1Cc2ccccc2C(c2cccc(NCc3cc(-c4ccccc4F)n(S(=O)(=O)c4cccnc4)c3)c2)C1 |
MW: | 615.13 |
Fraction sp3: | 0.15 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 84.3 |
cLogP: | 6.25120000000001 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Activated haloaromatics
AAR-POS-d2a4d1df-7
MAK-UNK-702fb7d3-14
0.810
MAK-UNK-702fb7d3-9
0.771
MAK-UNK-702fb7d3-10
0.746
MAK-UNK-702fb7d3-12
0.730
MAK-UNK-702fb7d3-1
0.672
MAK-UNK-702fb7d3-3
0.659
MAK-UNK-702fb7d3-11
0.648
MAK-UNK-702fb7d3-8
0.643
MAK-UNK-702fb7d3-17
0.630
MAK-UNK-702fb7d3-2
0.620
MAK-UNK-702fb7d3-19
0.605
MAK-UNK-702fb7d3-7
0.588
MAK-UNK-702fb7d3-18
0.583
MAK-UNK-702fb7d3-21
0.568
MAK-UNK-702fb7d3-5
0.554
MAK-UNK-702fb7d3-6
0.552
MAK-UNK-702fb7d3-20
0.545
MAK-UNK-8fdbca50-40
0.530
MAK-UNK-702fb7d3-4
0.529
MAK-UNK-8fdbca50-39
0.519
MAK-UNK-8fdbca50-41
0.519
MAK-UNK-8fdbca50-16
0.515
MAK-UNK-8fdbca50-1
0.507
MAK-UNK-8fdbca50-37
0.504
MAK-UNK-8fdbca50-34
0.496
MAK-UNK-8fdbca50-36
0.493
MAK-UNK-8fdbca50-38
0.489
MAK-UNK-8fdbca50-17
0.474
MAK-UNK-8fdbca50-2
0.471
MAK-UNK-148caf23-4
0.466
MAK-UNK-8fdbca50-32
0.464
MAK-UNK-de9577cf-10
0.462
MAK-UNK-8fdbca50-35
0.461
MAK-UNK-148caf23-5
0.459
MAK-UNK-148caf23-3
0.455
MAK-UNK-8fdbca50-33
0.454
MAK-UNK-9a6be56d-29
0.450
MAK-UNK-9a6be56d-31
0.450
MAK-UNK-148caf23-2
0.449
MAK-UNK-9a6be56d-26
0.447
MAK-UNK-9a6be56d-28
0.447
MAK-UNK-148caf23-8
0.444
MAK-UNK-8fdbca50-3
0.444
MAK-UNK-de9577cf-1
0.444
MAK-UNK-9a6be56d-27
0.443
MAK-UNK-de9577cf-2
0.442
MAK-UNK-8fdbca50-28
0.440
NIR-THE-c331be7a-1
0.439
DAR-DIA-caba39e3-1
0.439
MAK-UNK-8fdbca50-18
0.433
MAK-UNK-148caf23-1
0.431
MAK-UNK-9a6be56d-30
0.430
MAK-UNK-148caf23-7
0.428
MAK-UNK-148caf23-6
0.423
MAK-UNK-8fdbca50-27
0.420
MAK-UNK-8fdbca50-23
0.418
MAK-UNK-8fdbca50-30
0.415
MAK-UNK-9a6be56d-25
0.415
MAK-UNK-9a6be56d-32
0.413
MAK-UNK-9a6be56d-1
0.413
MAK-UNK-8fdbca50-13
0.408
MAK-UNK-8fdbca50-14
0.404
MAK-UNK-8fdbca50-20
0.404
MAK-UNK-8fdbca50-26
0.404
MAK-UNK-8fdbca50-22
0.403
MAK-UNK-8fdbca50-12
0.403
AAR-POS-0daf6b7e-14
0.402
NIR-THE-c331be7a-6
0.402
DAR-DIA-caba39e3-2
0.400
MAK-UNK-8fdbca50-24
0.397
MAK-UNK-8fdbca50-5
0.396
MAK-UNK-8fdbca50-11
0.396
MAK-UNK-148caf23-9
0.396
NIR-THE-c331be7a-2
0.395
MAK-UNK-de9577cf-11
0.394
MAK-UNK-8fdbca50-8
0.392
MAK-UNK-8fdbca50-9
0.390
MAK-UNK-9a6be56d-3
0.389
MAK-UNK-8fdbca50-21
0.388
MAK-UNK-8fdbca50-7
0.387
TAM-UNI-d1c3dd9f-7
0.386
MAK-UNK-8fdbca50-31
0.385
DAV-CRI-3fe943ba-1
0.383
DAV-CRI-3fe943ba-2
0.380
MAK-UNK-8fdbca50-25
0.378
MAK-UNK-8fdbca50-6
0.377
MAK-UNK-de9577cf-3
0.375
MAK-UNK-8fdbca50-15
0.375
MAK-UNK-9a6be56d-8
0.374
MAK-UNK-8fdbca50-10
0.362
NIR-THE-c331be7a-5
0.362
MIH-UNI-e573136b-12
0.362
TAM-UNI-d1c3dd9f-3
0.362
MAK-UNK-de9577cf-6
0.359
MAK-UNK-de9577cf-7
0.359
MAK-UNK-de9577cf-17
0.357
MAK-UNK-148caf23-21
0.357
MAK-UNK-148caf23-20
0.354
MAK-UNK-de9577cf-20
0.353
MAK-UNK-de9577cf-16
0.352