Molecular Properties | |
SMILES: | CNCc1cc(S(=O)(=O)c2cccnc2)c(-c2ccccc2F)n1-c1c(O)cc(C(=O)O)c(O)c1I |
MW: | 623.4 |
Fraction sp3: | 0.08 |
HBA: | 8 |
HBD: | 4 |
Rotatable Bonds: | 7 |
TPSA: | 141.75 |
cLogP: | 3.9446 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
hydroquinone
iodine
Activated haloaromatics
Filter9_metal
aryl iodide
unacceptable atoms
dihydroxybenzene
pyrrole_B(29)
poly_sub_atomatic
MAK-UNK-0955449e-30
0.588
MAK-UNK-0955449e-29
0.396
MAK-UNK-de9577cf-15
0.374
MAK-UNK-148caf23-11
0.374
MAK-UNK-de9577cf-13
0.368
MAK-UNK-9a6be56d-10
0.366
MAK-UNK-148caf23-12
0.365
MAK-UNK-9a6be56d-12
0.336
MAK-UNK-de9577cf-14
0.333
MAK-UNK-de9577cf-22
0.328
MAK-UNK-148caf23-3
0.328
MAK-UNK-9a6be56d-11
0.321
MAK-UNK-8fdbca50-19
0.321
MAK-UNK-de9577cf-2
0.320
MAK-UNK-de9577cf-3
0.317
MAK-UNK-de9577cf-1
0.315
MAK-UNK-148caf23-13
0.315
MAK-UNK-8fdbca50-40
0.312
MAK-UNK-9a6be56d-14
0.309
MAK-UNK-148caf23-8
0.308
MAK-UNK-148caf23-14
0.308
MAK-UNK-de9577cf-11
0.308
MAK-UNK-8fdbca50-20
0.305
MAK-UNK-8fdbca50-41
0.305
MAK-UNK-de9577cf-10
0.303
MAK-UNK-9a6be56d-5
0.302
MAK-UNK-8fdbca50-18
0.302
MAK-UNK-148caf23-9
0.301
MAK-UNK-8fdbca50-5
0.299
MAK-UNK-8fdbca50-38
0.298
MAK-UNK-8fdbca50-37
0.297
MAK-UNK-148caf23-1
0.296
MAK-UNK-de9577cf-16
0.296
MAK-UNK-8fdbca50-39
0.296
MAK-UNK-8fdbca50-4
0.296
MAK-UNK-8fdbca50-32
0.296
MAK-UNK-de9577cf-12
0.295
MAK-UNK-148caf23-2
0.294
MAK-UNK-8fdbca50-17
0.293
MAK-UNK-9a6be56d-27
0.293
MAK-UNK-702fb7d3-21
0.292
MAK-UNK-702fb7d3-17
0.292
MAK-UNK-148caf23-5
0.291
MAK-UNK-9a6be56d-29
0.291
MAK-UNK-9a6be56d-31
0.291
MAK-UNK-702fb7d3-8
0.291
MAK-UNK-8fdbca50-1
0.290
MAK-UNK-9a6be56d-25
0.290
MAK-UNK-8fdbca50-34
0.290
MAK-UNK-0955449e-3
0.289
MAK-UNK-148caf23-4
0.289
MAK-UNK-148caf23-10
0.289
MAK-UNK-9a6be56d-26
0.289
MAK-UNK-9a6be56d-28
0.289
MAK-UNK-8fdbca50-3
0.287
MAK-UNK-702fb7d3-14
0.286
MAK-UNK-8fdbca50-16
0.285
MAK-UNK-148caf23-7
0.285
MAK-UNK-702fb7d3-11
0.284
MAK-UNK-9a6be56d-1
0.284
MAK-UNK-9a6be56d-32
0.284
MAK-UNK-de9577cf-6
0.284
MAK-UNK-de9577cf-7
0.284
MAK-UNK-702fb7d3-20
0.283
MAK-UNK-9a6be56d-30
0.282
MAK-UNK-8fdbca50-2
0.282
MAK-UNK-de9577cf-8
0.281
MAK-UNK-702fb7d3-6
0.281
MAK-UNK-de9577cf-9
0.279
MAK-UNK-148caf23-6
0.279
MAK-UNK-148caf23-20
0.279
MAK-UNK-702fb7d3-3
0.279
MAK-UNK-8fdbca50-36
0.279
MAK-UNK-702fb7d3-1
0.279
MAK-UNK-702fb7d3-9
0.279
MAK-UNK-9a6be56d-3
0.279
MAK-UNK-8fdbca50-33
0.278
MAK-UNK-0955449e-4
0.277
MAK-UNK-148caf23-15
0.276
MAK-UNK-8fdbca50-35
0.276
MAK-UNK-702fb7d3-12
0.275
MAK-UNK-702fb7d3-5
0.275
MAK-UNK-de9577cf-5
0.274
MAK-UNK-148caf23-23
0.274
MAK-UNK-9a6be56d-4
0.273
MAK-UNK-de9577cf-19
0.273
MAK-UNK-702fb7d3-7
0.272
MAK-UNK-de9577cf-17
0.272
MAK-UNK-702fb7d3-10
0.272
MAK-UNK-9a6be56d-21
0.271
MAK-UNK-702fb7d3-18
0.270
MAK-UNK-de9577cf-21
0.270
MAK-UNK-702fb7d3-13
0.270
MAK-UNK-9a6be56d-24
0.270
MAK-UNK-9a6be56d-9
0.268
AGN-NEW-891393a6-8
0.267
MAK-UNK-8fdbca50-22
0.266
MAK-UNK-9a6be56d-8
0.266
MAK-UNK-702fb7d3-19
0.265
MAK-UNK-0955449e-5
0.265