Molecular Properties | |
SMILES: | CNC(c1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1)N1CCCc2ccc(S(N)(=O)=O)cc21 |
MW: | 555.657 |
Fraction sp3: | 0.19 |
HBA: | 8 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 127.39 |
cLogP: | 3.2444 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
non_ring_acetal
Methylendiamines (2)
Activated haloaromatics
acyclic N-C-N
Dye 22
AAR-POS-d2a4d1df-4
MAK-UNK-9a6be56d-8
0.658
MAK-UNK-9a6be56d-1
0.562
MAK-UNK-de9577cf-12
0.530
MAK-UNK-9a6be56d-31
0.520
MAK-UNK-9a6be56d-4
0.516
MAK-UNK-9a6be56d-10
0.508
MAK-UNK-9a6be56d-12
0.508
MAK-UNK-9a6be56d-3
0.508
MAK-UNK-9a6be56d-25
0.500
MAK-UNK-9a6be56d-14
0.496
MAK-UNK-9a6be56d-30
0.496
MAK-UNK-9a6be56d-21
0.481
MAK-UNK-9a6be56d-22
0.477
MAK-UNK-9a6be56d-23
0.477
MAK-UNK-9a6be56d-32
0.477
MAK-UNK-9a6be56d-2
0.473
MAK-UNK-148caf23-10
0.468
MAK-UNK-9a6be56d-27
0.465
MAK-UNK-9a6be56d-16
0.462
MAK-UNK-9a6be56d-29
0.462
MAK-UNK-9a6be56d-24
0.461
MAK-UNK-9a6be56d-17
0.457
MAK-UNK-8fdbca50-18
0.454
MAK-UNK-9a6be56d-15
0.450
MAK-UNK-9a6be56d-26
0.447
MAK-UNK-9a6be56d-28
0.447
MAK-UNK-8fdbca50-3
0.433
MAK-UNK-9a6be56d-11
0.432
MAK-UNK-9a6be56d-18
0.431
MAK-UNK-9a6be56d-19
0.425
MAK-UNK-de9577cf-11
0.424
MAK-UNK-9a6be56d-5
0.421
MAK-UNK-de9577cf-10
0.417
MAK-UNK-9a6be56d-6
0.412
MAK-UNK-de9577cf-3
0.403
MAK-UNK-de9577cf-1
0.398
MAK-UNK-de9577cf-2
0.395
MAK-UNK-de9577cf-15
0.394
MAK-UNK-8fdbca50-40
0.390
MAK-UNK-148caf23-4
0.379
MAK-UNK-de9577cf-13
0.377
MAK-UNK-702fb7d3-20
0.376
MAK-UNK-148caf23-7
0.373
MAK-UNK-8fdbca50-33
0.371
MAK-UNK-8fdbca50-39
0.371
MAK-UNK-8fdbca50-32
0.371
MAK-UNK-148caf23-5
0.371
MAK-UNK-148caf23-9
0.371
MAK-UNK-8fdbca50-36
0.371
MAK-UNK-de9577cf-22
0.368
MAK-UNK-148caf23-6
0.368
MAK-UNK-8fdbca50-2
0.367
MAK-UNK-702fb7d3-21
0.366
MAK-UNK-148caf23-1
0.366
MAK-UNK-8fdbca50-38
0.364
MAK-UNK-8fdbca50-1
0.364
MAK-UNK-148caf23-2
0.363
MAK-UNK-8fdbca50-41
0.362
MAK-UNK-8fdbca50-37
0.361
MAK-UNK-8fdbca50-17
0.360
MAK-UNK-8fdbca50-16
0.359
MAK-UNK-148caf23-3
0.358
MAK-UNK-148caf23-8
0.358
MAK-UNK-702fb7d3-6
0.354
MAK-UNK-8fdbca50-34
0.354
MAK-UNK-702fb7d3-7
0.354
MAK-UNK-702fb7d3-5
0.350
MAK-UNK-8fdbca50-35
0.350
MAK-UNK-702fb7d3-4
0.345
MAK-UNK-de9577cf-19
0.344
MAK-UNK-de9577cf-6
0.343
MAK-UNK-de9577cf-7
0.343
MAK-UNK-702fb7d3-1
0.342
MAK-UNK-702fb7d3-2
0.342
MAK-UNK-de9577cf-4
0.341
MAK-UNK-de9577cf-8
0.341
TAM-UNI-c140e31a-6
0.339
MAK-UNK-702fb7d3-17
0.338
MAK-UNK-702fb7d3-19
0.338
MAK-UNK-de9577cf-5
0.333
MAK-UNK-702fb7d3-3
0.333
MAK-UNK-702fb7d3-10
0.333
MAK-UNK-702fb7d3-18
0.333
MAK-UNK-702fb7d3-9
0.333
MAK-UNK-702fb7d3-14
0.331
MAK-UNK-de9577cf-17
0.331
MAK-UNK-148caf23-11
0.331
PET-SGC-59809fea-1
0.331
MAK-UNK-702fb7d3-11
0.329
MAK-UNK-702fb7d3-12
0.329
MAK-UNK-de9577cf-9
0.328
MAK-UNK-702fb7d3-8
0.327
MAK-UNK-de9577cf-16
0.326
MAK-UNK-de9577cf-20
0.326
MAK-UNK-702fb7d3-13
0.322
MAK-UNK-8fdbca50-13
0.320
MAK-UNK-148caf23-12
0.314
MAK-UNK-de9577cf-21
0.309
MAK-UNK-148caf23-14
0.309
AAR-POS-d2a4d1df-4
0.308