Molecular Properties | |
SMILES: | CNCc1cc(-c2ccc(C(C)N(C)C(=O)C3CCN(C(=O)CCl)CC3)cc2F)n(S(=O)(=O)c2cccnc2)c1 |
MW: | 590.121 |
Fraction sp3: | 0.39 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 9 |
TPSA: | 104.61 |
cLogP: | 3.6424 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Activated haloaromatics
AAR-POS-d2a4d1df-5
MAK-UNK-8fdbca50-14
0.833
MAK-UNK-8fdbca50-28
0.735
MAK-UNK-8fdbca50-12
0.712
MAK-UNK-8fdbca50-30
0.687
MAK-UNK-8fdbca50-15
0.669
MAK-UNK-8fdbca50-9
0.661
MAK-UNK-8fdbca50-27
0.661
MAK-UNK-8fdbca50-7
0.648
MAK-UNK-8fdbca50-11
0.648
MAK-UNK-8fdbca50-31
0.636
MAK-UNK-8fdbca50-1
0.634
MAK-UNK-8fdbca50-8
0.618
MAK-UNK-8fdbca50-26
0.610
MAK-UNK-8fdbca50-2
0.607
MAK-UNK-8fdbca50-16
0.592
MAK-UNK-8fdbca50-3
0.584
MAK-UNK-8fdbca50-41
0.584
MAK-UNK-8fdbca50-32
0.584
MAK-UNK-8fdbca50-39
0.584
MAK-UNK-8fdbca50-5
0.583
MAK-UNK-8fdbca50-6
0.583
MAK-UNK-8fdbca50-40
0.573
MAK-UNK-8fdbca50-10
0.562
MAK-UNK-8fdbca50-17
0.560
MAK-UNK-8fdbca50-33
0.559
MAK-UNK-8fdbca50-34
0.558
MAK-UNK-8fdbca50-23
0.556
MAK-UNK-8fdbca50-22
0.548
MAK-UNK-8fdbca50-20
0.547
MAK-UNK-8fdbca50-18
0.535
MAK-UNK-8fdbca50-24
0.532
MAK-UNK-8fdbca50-37
0.530
MAK-UNK-8fdbca50-36
0.519
MAK-UNK-8fdbca50-21
0.515
MAK-UNK-8fdbca50-38
0.504
MAK-UNK-8fdbca50-35
0.496
MAK-UNK-8fdbca50-25
0.492
MAK-UNK-de9577cf-7
0.476
MAK-UNK-0955449e-34
0.458
MAK-UNK-8fdbca50-4
0.456
MAK-UNK-0955449e-35
0.453
MAK-UNK-148caf23-21
0.450
MAK-UNK-9a6be56d-22
0.444
MAK-UNK-8fdbca50-19
0.434
MAK-UNK-0955449e-32
0.433
MAK-UNK-702fb7d3-5
0.423
MAK-UNK-de9577cf-4
0.419
MAK-UNK-de9577cf-8
0.417
MAK-UNK-702fb7d3-12
0.417
MAK-UNK-702fb7d3-6
0.415
MAK-UNK-702fb7d3-8
0.414
MAK-UNK-702fb7d3-9
0.413
MAK-UNK-702fb7d3-14
0.410
MAK-UNK-de9577cf-6
0.409
MAK-UNK-702fb7d3-13
0.408
MAK-UNK-702fb7d3-11
0.407
MAK-UNK-702fb7d3-10
0.401
MAK-UNK-de9577cf-5
0.398
MAK-UNK-148caf23-22
0.398
MAK-UNK-9a6be56d-21
0.397
MAK-UNK-702fb7d3-4
0.396
MAK-UNK-702fb7d3-7
0.396
MAK-UNK-0955449e-33
0.393
MAK-UNK-9a6be56d-23
0.393
MAK-UNK-9a6be56d-30
0.390
MAK-UNK-de9577cf-2
0.388
MAK-UNK-9a6be56d-6
0.384
MAK-UNK-702fb7d3-1
0.384
MAK-UNK-148caf23-20
0.382
MAK-UNK-de9577cf-1
0.381
MAK-UNK-702fb7d3-17
0.379
MAK-UNK-de9577cf-10
0.378
MAK-UNK-148caf23-2
0.377
MAK-UNK-148caf23-7
0.377
MAK-UNK-702fb7d3-2
0.374
MAK-UNK-702fb7d3-3
0.374
MAK-UNK-9a6be56d-27
0.373
MAK-UNK-148caf23-3
0.372
MAK-UNK-148caf23-6
0.372
MAK-UNK-148caf23-8
0.372
MAK-UNK-de9577cf-9
0.372
MAK-UNK-9a6be56d-2
0.371
MAK-UNK-9a6be56d-29
0.371
MAK-UNK-9a6be56d-31
0.371
MAK-UNK-9a6be56d-24
0.369
MAK-UNK-9a6be56d-3
0.369
MAK-UNK-9a6be56d-26
0.368
MAK-UNK-148caf23-23
0.368
MAK-UNK-9a6be56d-25
0.367
MAK-UNK-148caf23-5
0.365
MAK-UNK-9a6be56d-32
0.364
MAK-UNK-de9577cf-11
0.363
MAK-UNK-148caf23-4
0.362
ANT-OPE-a517596a-1
0.362
PEI-IMP-ca0b2813-1
0.361
MAK-UNK-702fb7d3-19
0.361
MAK-UNK-148caf23-9
0.355
MAK-UNK-9a6be56d-8
0.354
MAK-UNK-148caf23-1
0.350
MAK-UNK-9a6be56d-28
0.349