Molecular Properties | |
SMILES: | NS(=O)(=O)c1ccc2c(c1)N(CNCc1cc(-c3ccccc3F)n(S(=O)(=O)c3cccnc3)c1)CCC2 |
MW: | 555.657 |
Fraction sp3: | 0.19 |
HBA: | 8 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 127.39 |
cLogP: | 3.0735 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
non_ring_CH2O_acetal
Methylendiamines (2)
Activated haloaromatics
acyclic N-C-N
Dye 22
AAR-POS-d2a4d1df-4
MAK-UNK-9a6be56d-8
0.638
MAK-UNK-9a6be56d-31
0.619
MAK-UNK-9a6be56d-2
0.619
MAK-UNK-9a6be56d-25
0.607
MAK-UNK-9a6be56d-32
0.597
MAK-UNK-9a6be56d-30
0.579
MAK-UNK-de9577cf-10
0.574
MAK-UNK-9a6be56d-28
0.574
MAK-UNK-9a6be56d-22
0.570
MAK-UNK-9a6be56d-3
0.567
MAK-UNK-9a6be56d-9
0.562
MAK-UNK-9a6be56d-17
0.562
MAK-UNK-9a6be56d-26
0.561
MAK-UNK-9a6be56d-27
0.557
MAK-UNK-9a6be56d-23
0.557
MAK-UNK-9a6be56d-29
0.553
MAK-UNK-9a6be56d-14
0.553
MAK-UNK-9a6be56d-21
0.548
MAK-UNK-9a6be56d-16
0.540
MAK-UNK-9a6be56d-15
0.528
MAK-UNK-9a6be56d-18
0.520
MAK-UNK-9a6be56d-10
0.516
MAK-UNK-9a6be56d-24
0.516
MAK-UNK-9a6be56d-4
0.512
MAK-UNK-9a6be56d-19
0.512
MAK-UNK-9a6be56d-5
0.508
MAK-UNK-9a6be56d-12
0.504
MAK-UNK-148caf23-8
0.500
MAK-UNK-9a6be56d-6
0.488
MAK-UNK-de9577cf-1
0.488
MAK-UNK-8fdbca50-32
0.473
MAK-UNK-8fdbca50-16
0.470
MAK-UNK-148caf23-5
0.468
MAK-UNK-de9577cf-11
0.467
MAK-UNK-148caf23-6
0.464
MAK-UNK-8fdbca50-1
0.463
MAK-UNK-8fdbca50-41
0.462
MAK-UNK-8fdbca50-40
0.462
MAK-UNK-148caf23-1
0.460
MAK-UNK-702fb7d3-1
0.459
MAK-UNK-148caf23-2
0.457
MAK-UNK-148caf23-3
0.452
MAK-UNK-148caf23-4
0.452
MAK-UNK-702fb7d3-6
0.452
MAK-UNK-8fdbca50-33
0.451
MAK-UNK-9a6be56d-11
0.450
MAK-UNK-de9577cf-2
0.450
MAK-UNK-148caf23-7
0.445
MAK-UNK-8fdbca50-38
0.444
MAK-UNK-8fdbca50-34
0.441
MAK-UNK-702fb7d3-7
0.441
MAK-UNK-8fdbca50-39
0.440
MAK-UNK-702fb7d3-5
0.439
MAK-UNK-8fdbca50-36
0.438
MAK-UNK-8fdbca50-37
0.438
MAK-UNK-702fb7d3-3
0.438
MAK-UNK-702fb7d3-4
0.431
MAK-UNK-702fb7d3-2
0.428
MAK-UNK-702fb7d3-9
0.428
MAK-UNK-de9577cf-19
0.427
MAK-UNK-8fdbca50-35
0.426
MAK-UNK-702fb7d3-10
0.426
MAK-UNK-de9577cf-7
0.425
MAK-UNK-702fb7d3-14
0.424
MAK-UNK-702fb7d3-11
0.421
MAK-UNK-702fb7d3-12
0.421
MAK-UNK-de9577cf-22
0.419
TAM-UNI-c140e31a-6
0.417
MAK-UNK-de9577cf-12
0.417
MAK-UNK-8fdbca50-2
0.415
MAK-UNK-de9577cf-6
0.414
MAK-UNK-702fb7d3-13
0.413
MAK-UNK-de9577cf-8
0.411
MAK-UNK-de9577cf-17
0.411
MAK-UNK-148caf23-9
0.411
MAK-UNK-702fb7d3-8
0.408
MAK-UNK-de9577cf-20
0.408
MAK-UNK-8fdbca50-17
0.407
MAK-UNK-de9577cf-16
0.405
MAK-UNK-de9577cf-15
0.402
MAK-UNK-702fb7d3-18
0.397
MAK-UNK-de9577cf-13
0.395
MAK-UNK-702fb7d3-19
0.393
MAK-UNK-702fb7d3-17
0.393
MAK-UNK-de9577cf-5
0.392
MAK-UNK-de9577cf-4
0.391
MAK-UNK-de9577cf-3
0.389
MAK-UNK-8fdbca50-3
0.388
MAK-UNK-702fb7d3-21
0.383
MAK-UNK-702fb7d3-20
0.383
PET-SGC-59809fea-1
0.382
MAK-UNK-8fdbca50-18
0.377
MAK-UNK-de9577cf-9
0.376
MAK-UNK-de9577cf-21
0.376
MAK-UNK-148caf23-10
0.376
MAK-UNK-8fdbca50-28
0.374
MAK-UNK-8fdbca50-23
0.372
MAK-UNK-0955449e-32
0.369
MAK-UNK-148caf23-21
0.368
MAK-UNK-0b1cbb06-4
0.366