Molecular Properties | |
SMILES: | CNCC1=CC(OC(=O)c2ccc(S(N)(=O)=O)cc2)(S(=O)(=O)c2cccnc2)C(c2ccccc2F)=C1 |
MW: | 543.598 |
Fraction sp3: | 0.12 |
HBA: | 8 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 145.52 |
cLogP: | 2.4381 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Ester
MAT-POS-7dfc56d9-1
MAK-UNK-de9577cf-13
0.487
MAK-UNK-9a6be56d-11
0.472
MAK-UNK-de9577cf-22
0.462
MAK-UNK-de9577cf-15
0.457
MAK-UNK-148caf23-13
0.437
MAK-UNK-8fdbca50-19
0.437
MAK-UNK-de9577cf-11
0.429
MAK-UNK-de9577cf-16
0.411
MAK-UNK-de9577cf-5
0.410
MAK-UNK-de9577cf-10
0.410
MAK-UNK-de9577cf-17
0.407
MAK-UNK-8fdbca50-4
0.405
MAK-UNK-de9577cf-12
0.402
MAK-UNK-de9577cf-6
0.398
MAK-UNK-de9577cf-8
0.395
MAK-UNK-de9577cf-9
0.392
MAK-UNK-de9577cf-20
0.392
MAK-UNK-de9577cf-7
0.387
MAK-UNK-de9577cf-21
0.381
MAK-UNK-de9577cf-19
0.377
MAK-UNK-de9577cf-2
0.364
MAK-UNK-de9577cf-1
0.357
MAK-UNK-de9577cf-3
0.350
MAK-UNK-9a6be56d-32
0.341
MAK-UNK-9a6be56d-12
0.336
MAK-UNK-9a6be56d-10
0.336
MAK-UNK-0955449e-29
0.333
MAK-UNK-0955449e-31
0.333
MAK-UNK-de9577cf-4
0.331
MAK-UNK-9a6be56d-14
0.328
MAK-UNK-0955449e-30
0.317
MAK-UNK-9a6be56d-26
0.317
MAK-UNK-9a6be56d-28
0.317
MAK-UNK-9a6be56d-1
0.312
MAK-UNK-148caf23-11
0.310
MAK-UNK-9a6be56d-31
0.309
MAK-UNK-9a6be56d-29
0.309
MAK-UNK-148caf23-10
0.308
MAK-UNK-148caf23-14
0.308
MAK-UNK-148caf23-12
0.303
MAK-UNK-9a6be56d-8
0.302
MAK-UNK-9a6be56d-27
0.302
MAK-UNK-9a6be56d-5
0.302
MAK-UNK-148caf23-5
0.301
MAK-UNK-9a6be56d-2
0.300
MAK-UNK-9a6be56d-30
0.300
MAK-UNK-9a6be56d-25
0.299
MAK-UNK-8fdbca50-20
0.296
MAK-UNK-9a6be56d-9
0.295
MAK-UNK-148caf23-2
0.294
MAK-UNK-9a6be56d-23
0.293
MAK-UNK-9a6be56d-22
0.293
MAK-UNK-148caf23-9
0.291
MAK-UNK-9a6be56d-15
0.291
MAK-UNK-8fdbca50-5
0.290
MAK-UNK-0955449e-3
0.289
MAT-POS-7dfc56d9-1
0.289
MAK-UNK-9a6be56d-21
0.289
MAK-UNK-9a6be56d-24
0.288
MAK-UNK-0955449e-4
0.287
MAK-UNK-148caf23-1
0.287
MAK-UNK-148caf23-7
0.285
MAK-UNK-0955449e-5
0.285
MAK-UNK-8fdbca50-18
0.284
MAK-UNK-9a6be56d-16
0.282
MAK-UNK-8fdbca50-1
0.281
MAK-UNK-8fdbca50-38
0.280
MAK-UNK-148caf23-4
0.279
MAK-UNK-148caf23-6
0.279
MAK-UNK-148caf23-3
0.279
MAK-UNK-148caf23-8
0.279
MAK-UNK-8fdbca50-37
0.279
MAK-UNK-9a6be56d-3
0.279
MAK-UNK-8fdbca50-3
0.278
MAK-UNK-8fdbca50-32
0.278
MAK-UNK-8fdbca50-33
0.278
MAK-UNK-8fdbca50-39
0.278
MAK-UNK-9a6be56d-17
0.277
MAK-UNK-8fdbca50-16
0.276
MAK-UNK-8fdbca50-35
0.276
MAK-UNK-8fdbca50-40
0.275
PED-UNI-292b67d6-1
0.274
MAK-UNK-702fb7d3-21
0.274
MAK-UNK-8fdbca50-27
0.273
MAK-UNK-702fb7d3-6
0.272
MAK-UNK-8fdbca50-34
0.272
MAK-UNK-9a6be56d-19
0.271
MAK-UNK-8fdbca50-36
0.270
MAK-UNK-148caf23-20
0.270
MAK-UNK-8fdbca50-41
0.269
MAK-UNK-8fdbca50-30
0.268
AGN-NEW-891393a6-8
0.267
MAK-UNK-148caf23-15
0.267
MAK-UNK-702fb7d3-11
0.267
MAK-UNK-8fdbca50-17
0.266
MAK-UNK-702fb7d3-5
0.266
MAK-UNK-702fb7d3-8
0.265
MAK-UNK-148caf23-22
0.265
MAK-UNK-148caf23-23
0.265
MAK-UNK-9a6be56d-4
0.264