Molecular Properties | |
SMILES: | CNCc1cc(-c2cc(N(C(=O)C3CCN(C(=O)CCl)CC3)C(C)C)ccc2F)n(S(=O)(=O)c2cccnc2)c1 |
MW: | 590.121 |
Fraction sp3: | 0.39 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 9 |
TPSA: | 104.61 |
cLogP: | 3.8644 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Activated haloaromatics
AAR-POS-d2a4d1df-5
MAK-UNK-8fdbca50-28
0.827
MAK-UNK-8fdbca50-14
0.761
MAK-UNK-8fdbca50-27
0.743
MAK-UNK-8fdbca50-13
0.687
MAK-UNK-8fdbca50-31
0.684
MAK-UNK-8fdbca50-12
0.661
MAK-UNK-8fdbca50-26
0.641
MAK-UNK-8fdbca50-11
0.639
MAK-UNK-8fdbca50-22
0.629
MAK-UNK-8fdbca50-24
0.628
MAK-UNK-8fdbca50-15
0.620
MAK-UNK-8fdbca50-23
0.612
MAK-UNK-8fdbca50-1
0.612
MAK-UNK-8fdbca50-16
0.608
MAK-UNK-8fdbca50-41
0.600
MAK-UNK-8fdbca50-40
0.588
MAK-UNK-8fdbca50-39
0.587
MAK-UNK-8fdbca50-2
0.583
MAK-UNK-8fdbca50-17
0.575
MAK-UNK-8fdbca50-20
0.574
MAK-UNK-8fdbca50-5
0.573
MAK-UNK-8fdbca50-21
0.566
MAK-UNK-8fdbca50-3
0.561
MAK-UNK-8fdbca50-32
0.561
MAK-UNK-8fdbca50-8
0.556
MAK-UNK-8fdbca50-18
0.549
MAK-UNK-8fdbca50-7
0.548
MAK-UNK-8fdbca50-9
0.545
MAK-UNK-8fdbca50-25
0.540
MAK-UNK-8fdbca50-34
0.535
MAK-UNK-8fdbca50-37
0.531
MAK-UNK-8fdbca50-33
0.524
MAK-UNK-8fdbca50-6
0.523
MAK-UNK-8fdbca50-36
0.508
MAK-UNK-8fdbca50-38
0.504
MAK-UNK-8fdbca50-10
0.504
MAK-UNK-8fdbca50-35
0.485
MAK-UNK-de9577cf-8
0.484
MAK-UNK-8fdbca50-19
0.465
MAK-UNK-148caf23-22
0.463
MAK-UNK-9a6be56d-23
0.454
MAK-UNK-8fdbca50-4
0.444
MAK-UNK-de9577cf-7
0.440
MAK-UNK-0955449e-32
0.431
MAK-UNK-702fb7d3-9
0.431
MAK-UNK-de9577cf-6
0.429
MAK-UNK-de9577cf-4
0.427
MAK-UNK-702fb7d3-6
0.423
MAK-UNK-0955449e-34
0.423
MAK-UNK-702fb7d3-8
0.421
MAK-UNK-9a6be56d-22
0.421
MAK-UNK-702fb7d3-5
0.421
MAK-UNK-702fb7d3-14
0.417
MAK-UNK-702fb7d3-13
0.415
MAK-UNK-702fb7d3-11
0.414
MAK-UNK-702fb7d3-12
0.414
MAK-UNK-148caf23-21
0.414
MAK-UNK-0955449e-35
0.409
MAK-UNK-702fb7d3-10
0.408
MAK-UNK-de9577cf-5
0.406
MAK-UNK-702fb7d3-4
0.403
MAK-UNK-702fb7d3-7
0.403
MAK-UNK-0955449e-33
0.402
MAK-UNK-148caf23-20
0.400
MAK-UNK-de9577cf-1
0.398
MAK-UNK-9a6be56d-21
0.394
MAK-UNK-9a6be56d-6
0.391
MAK-UNK-de9577cf-9
0.389
MAK-UNK-9a6be56d-29
0.387
MAK-UNK-9a6be56d-31
0.387
MAK-UNK-de9577cf-2
0.384
MAK-UNK-148caf23-7
0.383
MAK-UNK-9a6be56d-25
0.383
MAK-UNK-702fb7d3-3
0.380
MAK-UNK-702fb7d3-2
0.380
MAK-UNK-702fb7d3-1
0.380
MAK-UNK-de9577cf-11
0.380
MAK-UNK-148caf23-6
0.379
MAK-UNK-9a6be56d-2
0.377
MAK-UNK-702fb7d3-19
0.376
MAK-UNK-9a6be56d-24
0.375
MAK-UNK-9a6be56d-26
0.374
MAK-UNK-de9577cf-10
0.374
MAK-UNK-148caf23-23
0.374
MAK-UNK-148caf23-5
0.371
MAK-UNK-9a6be56d-27
0.370
PEI-IMP-ca0b2813-1
0.369
MAK-UNK-148caf23-3
0.368
MAK-UNK-148caf23-4
0.368
MAK-UNK-148caf23-8
0.368
MAK-UNK-9a6be56d-30
0.367
MAK-UNK-702fb7d3-17
0.366
MAK-UNK-9a6be56d-3
0.365
MAK-UNK-148caf23-2
0.363
MAK-UNK-9a6be56d-32
0.360
MAK-UNK-9a6be56d-1
0.360
MAK-UNK-de9577cf-22
0.358
NIM-UNI-310206f0-27
0.358
SAD-SAT-29425be4-27
0.356
MAK-UNK-148caf23-1
0.356