Molecular Properties | |
SMILES: | CNCc1cc(-c2ccccc2NS(=O)(=O)c2ccc3c(c2)N(C)CCC3)n(S(=O)(=O)c2cccnc2)c1 |
MW: | 551.694 |
Fraction sp3: | 0.22 |
HBA: | 8 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 113.4 |
cLogP: | 3.6897 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Dye 22
Hetero_hetero
AAR-POS-d2a4d1df-4
MAK-UNK-de9577cf-4
0.626
MAK-UNK-9a6be56d-25
0.587
MAK-UNK-9a6be56d-3
0.573
MAK-UNK-9a6be56d-2
0.571
MAK-UNK-9a6be56d-22
0.550
MAK-UNK-9a6be56d-5
0.550
MAK-UNK-9a6be56d-21
0.541
MAK-UNK-9a6be56d-23
0.537
MAK-UNK-9a6be56d-4
0.517
MAK-UNK-9a6be56d-26
0.516
MAK-UNK-9a6be56d-24
0.496
MAK-UNK-9a6be56d-1
0.488
MAK-UNK-9a6be56d-28
0.480
MAK-UNK-9a6be56d-27
0.465
MAK-UNK-0955449e-32
0.455
MAK-UNK-9a6be56d-14
0.450
MAK-UNK-9a6be56d-16
0.450
MAK-UNK-9a6be56d-17
0.445
MAK-UNK-de9577cf-5
0.439
MAK-UNK-de9577cf-6
0.439
MAK-UNK-9a6be56d-31
0.438
MAK-UNK-9a6be56d-30
0.438
MAK-UNK-0955449e-33
0.438
MAK-UNK-148caf23-20
0.432
MAK-UNK-9a6be56d-8
0.431
MAK-UNK-de9577cf-7
0.427
MAK-UNK-8fdbca50-26
0.421
MAK-UNK-9a6be56d-32
0.420
MAK-UNK-9a6be56d-18
0.419
MAK-UNK-9a6be56d-15
0.417
MAK-UNK-9a6be56d-29
0.417
MAK-UNK-8fdbca50-27
0.417
MAK-UNK-9a6be56d-10
0.415
MAK-UNK-de9577cf-8
0.413
MAK-UNK-148caf23-21
0.413
MAK-UNK-9a6be56d-9
0.412
MAK-UNK-8fdbca50-11
0.401
MAK-UNK-8fdbca50-28
0.396
MAK-UNK-148caf23-22
0.394
MAK-UNK-9a6be56d-19
0.393
MAK-UNK-8fdbca50-30
0.391
MAK-UNK-0955449e-34
0.389
MAK-UNK-8fdbca50-12
0.388
MAK-UNK-de9577cf-9
0.388
MAK-UNK-de9577cf-1
0.386
MAK-UNK-0b1cbb06-1
0.385
MAK-UNK-8fdbca50-13
0.384
MAK-UNK-9a6be56d-12
0.383
MAK-UNK-de9577cf-10
0.383
MAK-UNK-148caf23-5
0.380
MAK-UNK-8fdbca50-14
0.380
MAK-UNK-8fdbca50-31
0.380
MAK-UNK-8fdbca50-40
0.378
MAK-UNK-148caf23-4
0.377
MAK-UNK-148caf23-6
0.377
MAK-UNK-148caf23-1
0.374
MAK-UNK-148caf23-23
0.372
MAK-UNK-702fb7d3-6
0.371
MAK-UNK-148caf23-2
0.371
MAK-UNK-8fdbca50-41
0.370
MAK-UNK-0955449e-35
0.367
MAK-UNK-148caf23-3
0.366
MAK-UNK-702fb7d3-7
0.362
MAK-UNK-148caf23-7
0.361
MAK-UNK-8fdbca50-39
0.360
MAK-UNK-8fdbca50-33
0.360
MAK-UNK-9a6be56d-11
0.358
AAR-POS-d2a4d1df-4
0.357
MAK-UNK-148caf23-8
0.356
MAK-UNK-702fb7d3-12
0.354
MAK-UNK-8fdbca50-38
0.353
MAK-UNK-8fdbca50-34
0.352
MAK-UNK-8fdbca50-1
0.352
MAK-UNK-de9577cf-19
0.352
MAK-UNK-8fdbca50-32
0.350
MAK-UNK-8fdbca50-15
0.350
MAK-UNK-de9577cf-2
0.349
MAK-UNK-8fdbca50-35
0.348
MAK-UNK-8fdbca50-16
0.348
MAK-UNK-de9577cf-22
0.346
MAK-UNK-702fb7d3-11
0.345
MAK-UNK-702fb7d3-4
0.343
ANT-OPE-a517596a-1
0.342
MAK-UNK-8fdbca50-36
0.340
MAK-UNK-702fb7d3-3
0.340
MAK-UNK-8fdbca50-37
0.340
MAK-UNK-702fb7d3-2
0.340
MAK-UNK-de9577cf-17
0.338
MAK-UNK-702fb7d3-5
0.338
MAK-UNK-de9577cf-11
0.336
MAK-UNK-148caf23-14
0.336
MAK-UNK-de9577cf-20
0.333
MAK-UNK-de9577cf-12
0.333
MAK-UNK-148caf23-17
0.333
MAK-UNK-702fb7d3-8
0.333
MAK-UNK-702fb7d3-10
0.331
MAK-UNK-702fb7d3-1
0.331
MAK-UNK-702fb7d3-9
0.331
MAK-UNK-702fb7d3-14
0.329
MAK-UNK-8fdbca50-8
0.329