Molecular Properties | |
SMILES: | CNCc1cc(-c2ccccc2CN(C(=O)C2CCN(C(=O)CCl)CC2)C(C)C)n(S(=O)(=O)c2cccnc2)c1 |
MW: | 586.158 |
Fraction sp3: | 0.41 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 10 |
TPSA: | 104.61 |
cLogP: | 3.7209 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-5
MAK-UNK-8fdbca50-11
0.730
MAK-UNK-8fdbca50-27
0.658
MAK-UNK-8fdbca50-30
0.641
MAK-UNK-8fdbca50-14
0.633
MAK-UNK-8fdbca50-28
0.630
MAK-UNK-8fdbca50-16
0.628
MAK-UNK-8fdbca50-12
0.626
MAK-UNK-8fdbca50-13
0.610
MAK-UNK-8fdbca50-31
0.593
MAK-UNK-8fdbca50-1
0.567
MAK-UNK-8fdbca50-17
0.556
MAK-UNK-8fdbca50-40
0.556
MAK-UNK-8fdbca50-41
0.556
MAK-UNK-8fdbca50-39
0.556
MAK-UNK-8fdbca50-2
0.552
MAK-UNK-8fdbca50-15
0.550
MAK-UNK-8fdbca50-20
0.543
MAK-UNK-8fdbca50-23
0.540
MAK-UNK-8fdbca50-22
0.532
MAK-UNK-8fdbca50-32
0.531
MAK-UNK-8fdbca50-5
0.531
MAK-UNK-8fdbca50-8
0.527
MAK-UNK-8fdbca50-18
0.520
MAK-UNK-8fdbca50-3
0.519
MAK-UNK-8fdbca50-7
0.519
MAK-UNK-8fdbca50-34
0.519
MAK-UNK-8fdbca50-24
0.516
MAK-UNK-8fdbca50-9
0.504
MAK-UNK-8fdbca50-37
0.504
MAK-UNK-8fdbca50-21
0.500
MAK-UNK-8fdbca50-33
0.496
MAK-UNK-de9577cf-5
0.496
MAK-UNK-8fdbca50-6
0.485
MAK-UNK-8fdbca50-36
0.481
MAK-UNK-8fdbca50-25
0.477
MAK-UNK-8fdbca50-10
0.467
MAK-UNK-8fdbca50-38
0.466
MAK-UNK-8fdbca50-35
0.459
MAK-UNK-9a6be56d-2
0.459
MAK-UNK-0955449e-32
0.453
MAK-UNK-de9577cf-4
0.448
MAK-UNK-8fdbca50-19
0.440
MAK-UNK-9a6be56d-6
0.421
MAK-UNK-de9577cf-6
0.415
MAK-UNK-702fb7d3-12
0.413
MAK-UNK-0955449e-33
0.412
MAK-UNK-0955449e-34
0.410
MAK-UNK-8fdbca50-4
0.410
MAK-UNK-148caf23-20
0.409
MAK-UNK-702fb7d3-14
0.406
MAK-UNK-702fb7d3-13
0.404
MAK-UNK-702fb7d3-6
0.401
MAK-UNK-702fb7d3-9
0.399
MAK-UNK-702fb7d3-5
0.399
MAK-UNK-de9577cf-7
0.394
MAK-UNK-702fb7d3-11
0.393
MAK-UNK-702fb7d3-7
0.392
MAK-UNK-de9577cf-8
0.391
MAK-UNK-702fb7d3-8
0.390
MAK-UNK-702fb7d3-3
0.389
MAK-UNK-702fb7d3-10
0.388
MAK-UNK-9a6be56d-21
0.383
MAK-UNK-702fb7d3-1
0.379
SAD-SAT-29425be4-16
0.378
MAK-UNK-148caf23-6
0.378
MAK-UNK-0955449e-35
0.378
MAK-UNK-148caf23-22
0.373
MAK-UNK-702fb7d3-4
0.372
MAK-UNK-148caf23-21
0.370
MAK-UNK-702fb7d3-2
0.370
MAK-UNK-9a6be56d-23
0.369
MAK-UNK-9a6be56d-22
0.369
MAK-UNK-de9577cf-1
0.366
MAK-UNK-702fb7d3-17
0.366
MAK-UNK-9a6be56d-26
0.364
MAK-UNK-9a6be56d-25
0.363
MAK-UNK-148caf23-7
0.362
MAK-UNK-de9577cf-2
0.362
MAK-UNK-148caf23-5
0.360
MAK-UNK-9a6be56d-27
0.359
MAK-UNK-de9577cf-11
0.358
MAK-UNK-de9577cf-9
0.358
MAK-UNK-148caf23-8
0.358
MAK-UNK-9a6be56d-29
0.357
MAK-UNK-9a6be56d-31
0.357
ANT-OPE-a517596a-1
0.357
MAK-UNK-702fb7d3-19
0.356
SAD-SAT-29425be4-27
0.355
PEI-IMP-ca0b2813-1
0.355
MAK-UNK-9a6be56d-3
0.355
MAK-UNK-9a6be56d-28
0.354
MAK-UNK-148caf23-23
0.353
MAK-UNK-de9577cf-10
0.353
MAK-UNK-148caf23-2
0.353
MAK-UNK-148caf23-3
0.348
MAK-UNK-148caf23-4
0.348
MAK-UNK-9a6be56d-30
0.347
MAK-UNK-702fb7d3-20
0.347
MAK-UNK-148caf23-1
0.345
MAK-UNK-702fb7d3-18
0.342