Molecular Properties | |
SMILES: | CNCc1cc(-c2c(F)cccc2N2CCCc3ccc(S(N)(=O)=O)cc32)n(S(=O)(=O)c2cccnc2)c1 |
MW: | 555.657 |
Fraction sp3: | 0.19 |
HBA: | 8 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 127.39 |
cLogP: | 3.3773 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
Dye 22
AAR-POS-d2a4d1df-4
MAK-UNK-9a6be56d-21
0.727
MAK-UNK-9a6be56d-22
0.679
MAK-UNK-9a6be56d-23
0.679
MAK-UNK-9a6be56d-15
0.588
MAK-UNK-9a6be56d-10
0.563
MAK-UNK-9a6be56d-2
0.549
MAK-UNK-9a6be56d-17
0.545
MAK-UNK-9a6be56d-12
0.537
MAK-UNK-9a6be56d-16
0.537
MAK-UNK-de9577cf-9
0.534
MAK-UNK-9a6be56d-18
0.529
MAK-UNK-9a6be56d-14
0.524
MAK-UNK-9a6be56d-1
0.516
MAK-UNK-9a6be56d-19
0.508
MAK-UNK-9a6be56d-6
0.496
MAK-UNK-9a6be56d-8
0.492
MAK-UNK-148caf23-23
0.479
MAK-UNK-9a6be56d-31
0.477
MAK-UNK-9a6be56d-25
0.470
MAK-UNK-9a6be56d-9
0.461
MAK-UNK-de9577cf-7
0.455
MAK-UNK-de9577cf-6
0.455
MAK-UNK-de9577cf-8
0.452
MAK-UNK-8fdbca50-31
0.447
MAK-UNK-9a6be56d-30
0.443
MAK-UNK-9a6be56d-3
0.442
MAK-UNK-9a6be56d-32
0.435
MAK-UNK-9a6be56d-27
0.435
MAK-UNK-8fdbca50-15
0.434
MAK-UNK-9a6be56d-26
0.429
MAK-UNK-9a6be56d-28
0.429
MAK-UNK-9a6be56d-5
0.424
MAK-UNK-9a6be56d-29
0.421
MAK-UNK-0955449e-33
0.417
MAK-UNK-9a6be56d-11
0.414
MAK-UNK-0955449e-32
0.410
MAK-UNK-de9577cf-5
0.409
MAK-UNK-de9577cf-4
0.408
MAK-UNK-0955449e-34
0.405
MAK-UNK-9a6be56d-4
0.405
MAK-UNK-148caf23-21
0.395
MAK-UNK-148caf23-22
0.388
MAK-UNK-148caf23-20
0.382
MAK-UNK-de9577cf-10
0.377
MAK-UNK-8fdbca50-30
0.375
MAK-UNK-8fdbca50-28
0.370
MAK-UNK-8fdbca50-27
0.370
MAK-UNK-8fdbca50-13
0.369
MAK-UNK-8fdbca50-14
0.364
MAK-UNK-0955449e-35
0.362
MAK-UNK-148caf23-3
0.361
MAK-UNK-de9577cf-22
0.361
MAK-UNK-de9577cf-20
0.359
MAK-UNK-de9577cf-1
0.359
MAK-UNK-de9577cf-13
0.359
MAK-UNK-de9577cf-16
0.358
MAK-UNK-de9577cf-19
0.357
MAK-UNK-8fdbca50-12
0.354
MAK-UNK-de9577cf-15
0.354
MAK-UNK-de9577cf-17
0.353
MAK-UNK-8fdbca50-40
0.353
MAK-UNK-de9577cf-11
0.351
MAK-UNK-148caf23-5
0.343
TAM-UNI-c140e31a-6
0.342
MAK-UNK-148caf23-4
0.341
MAK-UNK-148caf23-1
0.338
MAK-UNK-702fb7d3-7
0.338
MAK-UNK-702fb7d3-6
0.338
AAR-POS-d2a4d1df-4
0.337
MAK-UNK-148caf23-2
0.336
MAK-UNK-8fdbca50-41
0.336
MAK-UNK-8fdbca50-26
0.336
PET-SGC-59809fea-1
0.333
MAK-UNK-702fb7d3-11
0.331
MAK-UNK-de9577cf-21
0.331
MAK-UNK-148caf23-6
0.331
MAK-UNK-148caf23-8
0.331
MAK-UNK-8fdbca50-11
0.329
MAK-UNK-de9577cf-12
0.328
MAK-UNK-702fb7d3-9
0.327
MAK-UNK-8fdbca50-36
0.327
MAK-UNK-148caf23-7
0.326
ANT-OPE-a517596a-1
0.325
MAK-UNK-de9577cf-2
0.323
MAK-UNK-148caf23-14
0.321
MAK-UNK-702fb7d3-8
0.320
MAK-UNK-8fdbca50-34
0.320
MAK-UNK-8fdbca50-38
0.319
MAK-UNK-702fb7d3-10
0.318
MAK-UNK-702fb7d3-3
0.318
MAK-UNK-8fdbca50-32
0.317
MAK-UNK-8fdbca50-33
0.317
MAK-UNK-8fdbca50-39
0.317
MAK-UNK-702fb7d3-13
0.316
MAK-UNK-702fb7d3-14
0.315
MAK-UNK-8fdbca50-35
0.315
MAK-UNK-8fdbca50-16
0.315
MAK-UNK-8fdbca50-17
0.315
MAK-UNK-702fb7d3-5
0.315
MAK-UNK-148caf23-9
0.314