Molecular Properties | |
SMILES: | CNCc1cc(-c2c(F)cccc2C(C)N(C)C(=O)C2CCN(C(=O)CCl)CC2)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-8fdbca50-12
0.714
MAK-UNK-8fdbca50-31
0.709
MAK-UNK-8fdbca50-14
0.681
MAK-UNK-8fdbca50-13
0.669
MAK-UNK-8fdbca50-30
0.620
MAK-UNK-8fdbca50-27
0.597
MAK-UNK-8fdbca50-28
0.597
MAK-UNK-8fdbca50-11
0.586
MAK-UNK-8fdbca50-1
0.562
MAK-UNK-8fdbca50-6
0.562
MAK-UNK-8fdbca50-26
0.550
MAK-UNK-8fdbca50-7
0.550
MAK-UNK-8fdbca50-2
0.547
MAK-UNK-8fdbca50-9
0.547
MAK-UNK-8fdbca50-8
0.546
MAK-UNK-8fdbca50-3
0.538
MAK-UNK-8fdbca50-5
0.538
MAK-UNK-8fdbca50-16
0.523
MAK-UNK-8fdbca50-39
0.515
MAK-UNK-8fdbca50-41
0.515
MAK-UNK-8fdbca50-32
0.515
MAK-UNK-8fdbca50-10
0.507
MAK-UNK-8fdbca50-40
0.504
MAK-UNK-8fdbca50-17
0.504
MAK-UNK-8fdbca50-18
0.504
MAK-UNK-8fdbca50-20
0.504
MAK-UNK-8fdbca50-34
0.493
MAK-UNK-8fdbca50-23
0.489
MAK-UNK-8fdbca50-24
0.488
MAK-UNK-8fdbca50-33
0.481
MAK-UNK-8fdbca50-22
0.481
MAK-UNK-8fdbca50-21
0.474
MAK-UNK-8fdbca50-37
0.468
MAK-UNK-8fdbca50-36
0.457
MAK-UNK-de9577cf-9
0.450
MAK-UNK-8fdbca50-25
0.442
MAK-UNK-8fdbca50-38
0.442
MAK-UNK-8fdbca50-4
0.439
MAK-UNK-8fdbca50-35
0.436
MAK-UNK-148caf23-23
0.435
MAK-UNK-9a6be56d-24
0.434
MAK-UNK-8fdbca50-19
0.428
MAK-UNK-702fb7d3-11
0.383
MAK-UNK-de9577cf-7
0.382
MAK-UNK-702fb7d3-6
0.381
MAK-UNK-702fb7d3-8
0.380
MAK-UNK-de9577cf-8
0.380
MAK-UNK-702fb7d3-9
0.378
MAK-UNK-0955449e-33
0.376
MAK-UNK-702fb7d3-14
0.376
MAK-UNK-702fb7d3-13
0.375
MAK-UNK-702fb7d3-12
0.373
MAK-UNK-de9577cf-6
0.372
MAK-UNK-de9577cf-4
0.370
MAK-UNK-0955449e-32
0.370
MAK-UNK-0955449e-34
0.369
MAK-UNK-702fb7d3-10
0.368
MAK-UNK-702fb7d3-5
0.368
MAK-UNK-0955449e-35
0.367
MAK-UNK-148caf23-21
0.360
MAK-UNK-9a6be56d-23
0.359
MAK-UNK-9a6be56d-22
0.359
MAK-UNK-148caf23-20
0.357
MAK-UNK-9a6be56d-21
0.354
MAK-UNK-de9577cf-5
0.353
MAK-UNK-148caf23-22
0.353
MAK-UNK-9a6be56d-6
0.350
MAK-UNK-702fb7d3-7
0.344
SAD-SAT-29425be4-27
0.344
MAK-UNK-de9577cf-2
0.341
MAK-UNK-9a6be56d-2
0.338
MAK-UNK-9a6be56d-30
0.338
MAK-UNK-9a6be56d-31
0.338
MAK-UNK-702fb7d3-17
0.338
MAK-UNK-9a6be56d-3
0.336
MAK-UNK-702fb7d3-4
0.336
MAK-UNK-702fb7d3-1
0.333
PEI-IMP-ca0b2813-1
0.330
AAR-POS-0daf6b7e-19
0.330
VIR-GIT-7b3d3065-3
0.330
MAK-UNK-9a6be56d-29
0.329
MAK-UNK-9a6be56d-25
0.327
MAK-UNK-de9577cf-1
0.326
NIM-UNI-310206f0-27
0.326
MAK-UNK-702fb7d3-2
0.325
MAK-UNK-702fb7d3-3
0.325
MAK-UNK-148caf23-7
0.324
MAK-UNK-de9577cf-10
0.324
ANT-OPE-a517596a-1
0.322
MAK-UNK-9a6be56d-27
0.322
THO-SYG-f9b2970d-8
0.321
MAK-UNK-702fb7d3-19
0.320
MAK-UNK-148caf23-3
0.319
MAK-UNK-148caf23-6
0.319
MAK-UNK-148caf23-8
0.319
MAK-UNK-de9577cf-11
0.319
MAK-UNK-9a6be56d-26
0.318
MAK-UNK-9a6be56d-28
0.318
LON-WEI-120e5cf5-11
0.316
MAK-UNK-148caf23-2
0.315