Molecular Properties | |
SMILES: | CC1(NCc2cc(-c3ccccc3F)n(S(=O)(=O)c3cccnc3)c2)CCCc2ccc(S(N)(=O)=O)cc21 |
MW: | 554.669 |
Fraction sp3: | 0.22 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 124.15 |
cLogP: | 3.9149 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
AAR-POS-d2a4d1df-4
MAK-UNK-9a6be56d-1
0.597
MAK-UNK-9a6be56d-31
0.566
MAK-UNK-9a6be56d-30
0.553
MAK-UNK-de9577cf-10
0.547
MAK-UNK-9a6be56d-27
0.545
MAK-UNK-9a6be56d-26
0.536
MAK-UNK-9a6be56d-28
0.536
MAK-UNK-9a6be56d-8
0.532
MAK-UNK-9a6be56d-25
0.519
MAK-UNK-9a6be56d-29
0.516
MAK-UNK-de9577cf-1
0.513
MAK-UNK-8fdbca50-38
0.500
MAK-UNK-702fb7d3-6
0.496
MAK-UNK-9a6be56d-22
0.496
MAK-UNK-8fdbca50-35
0.492
MAK-UNK-de9577cf-11
0.492
MAK-UNK-148caf23-6
0.488
MAK-UNK-de9577cf-2
0.487
MAK-UNK-148caf23-1
0.484
MAK-UNK-9a6be56d-14
0.481
MAK-UNK-9a6be56d-3
0.480
MAK-UNK-148caf23-7
0.480
MAK-UNK-9a6be56d-21
0.477
MAK-UNK-9a6be56d-9
0.477
MAK-UNK-148caf23-8
0.476
MAK-UNK-702fb7d3-4
0.474
MAK-UNK-9a6be56d-23
0.473
MAK-UNK-9a6be56d-2
0.469
MAK-UNK-9a6be56d-16
0.469
MAK-UNK-148caf23-2
0.468
MAK-UNK-148caf23-5
0.468
MAK-UNK-9a6be56d-17
0.465
MAK-UNK-148caf23-3
0.464
MAK-UNK-148caf23-4
0.464
MAK-UNK-de9577cf-12
0.463
MAK-UNK-8fdbca50-32
0.462
MAK-UNK-8fdbca50-33
0.462
MAK-UNK-8fdbca50-40
0.462
MAK-UNK-de9577cf-7
0.460
MAK-UNK-8fdbca50-37
0.459
MAK-UNK-8fdbca50-16
0.459
MAK-UNK-8fdbca50-1
0.452
MAK-UNK-8fdbca50-34
0.452
MAK-UNK-8fdbca50-39
0.451
MAK-UNK-8fdbca50-41
0.451
MAK-UNK-702fb7d3-5
0.450
MAK-UNK-702fb7d3-1
0.449
MAK-UNK-9a6be56d-15
0.447
MAK-UNK-de9577cf-8
0.444
MAK-UNK-de9577cf-17
0.444
MAK-UNK-702fb7d3-7
0.441
MAK-UNK-de9577cf-22
0.441
MAK-UNK-de9577cf-19
0.439
MAK-UNK-9a6be56d-18
0.438
MAK-UNK-702fb7d3-3
0.438
MAK-UNK-702fb7d3-2
0.438
MAK-UNK-de9577cf-6
0.437
MAK-UNK-9a6be56d-10
0.435
MAK-UNK-9a6be56d-12
0.435
MAK-UNK-9a6be56d-24
0.435
MAK-UNK-148caf23-9
0.433
MAK-UNK-702fb7d3-12
0.432
MAK-UNK-de9577cf-20
0.431
MAK-UNK-9a6be56d-4
0.431
MAK-UNK-9a6be56d-5
0.429
MAK-UNK-8fdbca50-36
0.428
MAK-UNK-702fb7d3-9
0.428
MAK-UNK-702fb7d3-10
0.426
MAK-UNK-8fdbca50-2
0.425
MAK-UNK-de9577cf-5
0.425
MAK-UNK-702fb7d3-14
0.424
MAK-UNK-de9577cf-4
0.424
MAK-UNK-de9577cf-3
0.423
MAK-UNK-9a6be56d-19
0.422
MAK-UNK-702fb7d3-11
0.421
MAK-UNK-9a6be56d-6
0.420
MAK-UNK-8fdbca50-17
0.418
MAK-UNK-de9577cf-13
0.417
MAK-UNK-702fb7d3-18
0.417
MAK-UNK-de9577cf-16
0.415
MAK-UNK-702fb7d3-13
0.413
MAK-UNK-702fb7d3-8
0.408
MAK-UNK-de9577cf-9
0.408
MAK-UNK-702fb7d3-17
0.403
MAK-UNK-702fb7d3-19
0.403
MAK-UNK-de9577cf-15
0.402
MAK-UNK-148caf23-21
0.400
MAK-UNK-8fdbca50-3
0.399
MAK-UNK-de9577cf-21
0.397
MAK-UNK-148caf23-10
0.397
MAK-UNK-702fb7d3-21
0.393
MAK-UNK-0955449e-32
0.392
MAK-UNK-9a6be56d-11
0.387
MAK-UNK-8fdbca50-18
0.387
MAK-UNK-148caf23-14
0.386
MAK-UNK-148caf23-17
0.385
MAK-UNK-8fdbca50-28
0.384
MAK-UNK-702fb7d3-20
0.383
MAK-UNK-8fdbca50-23
0.372
MAK-UNK-148caf23-16
0.371