Molecular Properties | |
SMILES: | CNCc1cc(-c2ccc(CCNC(=O)CNC(=O)c3cnc(C)s3)cc2F)n(S(=O)(=O)c2cccnc2)c1 |
MW: | 570.672 |
Fraction sp3: | 0.23 |
HBA: | 9 |
HBD: | 3 |
Rotatable Bonds: | 11 |
TPSA: | 135.08 |
cLogP: | 2.49922 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Activated haloaromatics
Long aliphatic chain
Dipeptide
MAK-UNK-148caf23-21
0.500
MAK-UNK-de9577cf-7
0.480
MAK-UNK-0955449e-32
0.462
MAK-UNK-8fdbca50-28
0.455
MAK-UNK-8fdbca50-13
0.453
MAK-UNK-0955449e-34
0.450
MAK-UNK-de9577cf-6
0.434
MAK-UNK-de9577cf-4
0.433
MAK-UNK-9a6be56d-22
0.426
MAK-UNK-148caf23-22
0.423
MAK-UNK-de9577cf-8
0.420
MAK-UNK-8fdbca50-27
0.413
MAK-UNK-8fdbca50-30
0.409
MAK-UNK-de9577cf-9
0.406
MAK-UNK-148caf23-20
0.406
MAK-UNK-de9577cf-1
0.405
MAK-UNK-148caf23-23
0.402
MAK-UNK-148caf23-2
0.400
MAK-UNK-8fdbca50-14
0.397
MAK-UNK-0955449e-33
0.397
MAK-UNK-8fdbca50-12
0.396
MAK-UNK-de9577cf-5
0.391
MAK-UNK-148caf23-5
0.388
MAK-UNK-8fdbca50-31
0.387
MAK-UNK-148caf23-3
0.385
MAK-UNK-148caf23-4
0.385
MAK-UNK-148caf23-8
0.385
MAK-UNK-de9577cf-10
0.381
MAK-UNK-9a6be56d-21
0.380
MAK-UNK-de9577cf-2
0.380
MAK-UNK-8fdbca50-26
0.378
MAK-UNK-8fdbca50-40
0.376
MAK-UNK-9a6be56d-23
0.376
MAK-UNK-148caf23-6
0.375
MAK-UNK-148caf23-1
0.372
MAK-UNK-8fdbca50-11
0.370
MAK-UNK-148caf23-7
0.370
MAK-UNK-702fb7d3-8
0.369
MAK-UNK-8fdbca50-15
0.367
MAK-UNK-8fdbca50-37
0.367
MAK-UNK-9a6be56d-6
0.367
MAK-UNK-9a6be56d-32
0.366
MAK-UNK-702fb7d3-5
0.366
MAK-UNK-8fdbca50-16
0.366
MAK-UNK-702fb7d3-11
0.362
MAK-UNK-9a6be56d-24
0.362
MAK-UNK-9a6be56d-26
0.361
MAK-UNK-8fdbca50-38
0.361
MAK-UNK-8fdbca50-32
0.359
MAK-UNK-8fdbca50-39
0.359
MAK-UNK-8fdbca50-41
0.359
MAK-UNK-702fb7d3-9
0.358
MAK-UNK-9a6be56d-27
0.357
MAK-UNK-8fdbca50-35
0.356
MAK-UNK-de9577cf-22
0.355
MAK-UNK-9a6be56d-2
0.354
MAK-UNK-9a6be56d-30
0.354
MAK-UNK-702fb7d3-12
0.353
MAK-UNK-9a6be56d-28
0.352
MAK-UNK-8fdbca50-1
0.351
MAK-UNK-8fdbca50-34
0.351
MAK-UNK-702fb7d3-4
0.351
MAK-UNK-702fb7d3-6
0.351
MAK-UNK-de9577cf-19
0.351
MAK-UNK-8fdbca50-33
0.349
MAK-UNK-702fb7d3-1
0.349
MAK-UNK-8fdbca50-36
0.349
MAK-UNK-148caf23-9
0.348
MAK-UNK-702fb7d3-13
0.346
MAK-UNK-de9577cf-11
0.346
MAK-UNK-9a6be56d-29
0.345
MAK-UNK-9a6be56d-31
0.345
MAK-UNK-de9577cf-20
0.343
MAK-UNK-9a6be56d-25
0.342
MAK-UNK-702fb7d3-7
0.342
MAK-UNK-702fb7d3-3
0.340
MAK-UNK-702fb7d3-2
0.340
MAK-UNK-702fb7d3-10
0.340
MAK-UNK-de9577cf-17
0.338
MAK-UNK-702fb7d3-14
0.338
MAK-UNK-de9577cf-21
0.336
MAK-UNK-8fdbca50-2
0.336
MAK-UNK-de9577cf-16
0.333
MAK-UNK-8fdbca50-23
0.333
MAK-UNK-9a6be56d-1
0.329
MAK-UNK-8fdbca50-17
0.329
MAK-UNK-702fb7d3-17
0.327
MAK-UNK-148caf23-14
0.326
MAK-UNK-de9577cf-3
0.326
MAK-UNK-8fdbca50-5
0.325
MAK-UNK-9a6be56d-3
0.324
MAK-UNK-148caf23-17
0.324
MAK-UNK-148caf23-18
0.324
MAK-UNK-702fb7d3-18
0.322
MAK-UNK-8fdbca50-20
0.322
MAK-UNK-148caf23-16
0.321
MAK-UNK-8fdbca50-8
0.320
MAK-UNK-8fdbca50-22
0.320
ANT-OPE-a517596a-1
0.319
MAK-UNK-702fb7d3-19
0.318