Molecular Properties | |
SMILES: | CN1CC(NCc2cc(-c3ccccc3F)n(S(=O)(=O)c3cccnc3)c2)Cc2ccc(S(N)(=O)=O)cc21 |
MW: | 555.657 |
Fraction sp3: | 0.19 |
HBA: | 8 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 127.39 |
cLogP: | 2.7243 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
Dye 22
AAR-POS-d2a4d1df-4
MAK-UNK-9a6be56d-31
0.655
MAK-UNK-9a6be56d-29
0.627
MAK-UNK-9a6be56d-1
0.579
MAK-UNK-9a6be56d-8
0.553
MAK-UNK-9a6be56d-27
0.553
MAK-UNK-9a6be56d-32
0.553
MAK-UNK-9a6be56d-25
0.551
MAK-UNK-9a6be56d-26
0.532
MAK-UNK-9a6be56d-28
0.532
MAK-UNK-de9577cf-10
0.517
MAK-UNK-702fb7d3-5
0.516
MAK-UNK-9a6be56d-3
0.500
MAK-UNK-9a6be56d-9
0.496
MAK-UNK-de9577cf-1
0.496
MAK-UNK-9a6be56d-22
0.492
MAK-UNK-8fdbca50-36
0.489
MAK-UNK-9a6be56d-14
0.488
MAK-UNK-9a6be56d-21
0.485
MAK-UNK-9a6be56d-17
0.484
MAK-UNK-702fb7d3-7
0.481
MAK-UNK-9a6be56d-23
0.481
MAK-UNK-148caf23-1
0.480
MAK-UNK-8fdbca50-37
0.478
MAK-UNK-9a6be56d-2
0.477
MAK-UNK-de9577cf-11
0.475
MAK-UNK-148caf23-4
0.472
MAK-UNK-8fdbca50-40
0.469
MAK-UNK-8fdbca50-35
0.466
MAK-UNK-9a6be56d-16
0.466
MAK-UNK-148caf23-2
0.465
MAK-UNK-148caf23-5
0.464
MAK-UNK-148caf23-3
0.460
MAK-UNK-148caf23-6
0.460
MAK-UNK-8fdbca50-34
0.459
MAK-UNK-702fb7d3-6
0.459
MAK-UNK-8fdbca50-32
0.459
MAK-UNK-8fdbca50-39
0.459
MAK-UNK-8fdbca50-33
0.459
MAK-UNK-de9577cf-2
0.458
MAK-UNK-702fb7d3-3
0.456
MAK-UNK-8fdbca50-16
0.455
MAK-UNK-9a6be56d-15
0.455
MAK-UNK-148caf23-7
0.453
MAK-UNK-702fb7d3-11
0.449
MAK-UNK-148caf23-8
0.449
MAK-UNK-8fdbca50-1
0.449
MAK-UNK-8fdbca50-41
0.448
MAK-UNK-9a6be56d-18
0.446
MAK-UNK-702fb7d3-9
0.445
MAK-UNK-702fb7d3-1
0.445
MAK-UNK-702fb7d3-2
0.445
MAK-UNK-de9577cf-7
0.444
MAK-UNK-702fb7d3-10
0.443
MAK-UNK-9a6be56d-12
0.443
MAK-UNK-9a6be56d-10
0.443
MAK-UNK-9a6be56d-24
0.443
MAK-UNK-702fb7d3-14
0.442
MAK-UNK-9a6be56d-19
0.440
MAK-UNK-8fdbca50-38
0.440
MAK-UNK-702fb7d3-12
0.439
MAK-UNK-9a6be56d-4
0.438
MAK-UNK-9a6be56d-6
0.438
MAK-UNK-702fb7d3-4
0.438
MAK-UNK-9a6be56d-5
0.436
MAK-UNK-702fb7d3-8
0.436
MAK-UNK-de9577cf-19
0.435
MAK-UNK-de9577cf-6
0.433
MAK-UNK-de9577cf-8
0.430
MAK-UNK-de9577cf-17
0.430
MAK-UNK-148caf23-9
0.430
MAK-UNK-702fb7d3-13
0.430
MAK-UNK-de9577cf-20
0.427
MAK-UNK-de9577cf-22
0.426
MAK-UNK-de9577cf-12
0.425
MAK-UNK-8fdbca50-2
0.422
MAK-UNK-de9577cf-5
0.422
MAK-UNK-702fb7d3-17
0.420
MAK-UNK-702fb7d3-19
0.420
MAK-UNK-8fdbca50-17
0.415
MAK-UNK-702fb7d3-18
0.414
MAK-UNK-de9577cf-16
0.412
MAK-UNK-702fb7d3-20
0.410
MAK-UNK-de9577cf-15
0.409
MAK-UNK-de9577cf-9
0.405
MAK-UNK-de9577cf-21
0.405
MAK-UNK-de9577cf-13
0.403
MAK-UNK-702fb7d3-21
0.400
MAK-UNK-de9577cf-4
0.398
MAK-UNK-8fdbca50-3
0.396
MAK-UNK-148caf23-10
0.394
MAK-UNK-8fdbca50-13
0.390
MAK-UNK-0955449e-32
0.388
MAK-UNK-148caf23-21
0.386
MAK-UNK-de9577cf-3
0.386
MAK-UNK-8fdbca50-18
0.384
MAK-UNK-8fdbca50-28
0.381
MAK-UNK-8fdbca50-23
0.380
MAK-UNK-9a6be56d-11
0.374
MAK-UNK-148caf23-20
0.373
MAK-UNK-148caf23-17
0.371