Molecular Properties | |
SMILES: | O=C(CCl)N1CC(c2ccccc2)c2ccccc2C1NCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1 |
MW: | 615.13 |
Fraction sp3: | 0.15 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 84.3 |
cLogP: | 5.92750000000001 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Activated haloaromatics
AAR-POS-d2a4d1df-7
MAK-UNK-702fb7d3-7
0.633
MAK-UNK-702fb7d3-8
0.626
MAK-UNK-702fb7d3-9
0.615
MAK-UNK-702fb7d3-10
0.595
MAK-UNK-702fb7d3-1
0.589
MAK-UNK-702fb7d3-3
0.589
MAK-UNK-702fb7d3-4
0.581
MAK-UNK-702fb7d3-2
0.576
MAK-UNK-702fb7d3-11
0.567
MAK-UNK-8fdbca50-36
0.563
MAK-UNK-702fb7d3-14
0.559
MAK-UNK-702fb7d3-13
0.554
MAK-UNK-8fdbca50-37
0.551
MAK-UNK-702fb7d3-17
0.548
MAK-UNK-702fb7d3-19
0.548
MAK-UNK-8fdbca50-40
0.545
MAK-UNK-702fb7d3-18
0.539
MAK-UNK-8fdbca50-39
0.532
MAK-UNK-8fdbca50-1
0.531
MAK-UNK-702fb7d3-12
0.531
MAK-UNK-8fdbca50-16
0.528
MAK-UNK-8fdbca50-38
0.524
MAK-UNK-8fdbca50-41
0.520
MAK-UNK-9a6be56d-30
0.516
MAK-UNK-702fb7d3-20
0.512
MAK-UNK-702fb7d3-21
0.512
MAK-UNK-702fb7d3-6
0.508
MAK-UNK-9a6be56d-31
0.504
MAK-UNK-8fdbca50-35
0.504
MAK-UNK-de9577cf-1
0.500
MAK-UNK-8fdbca50-34
0.496
MAK-UNK-de9577cf-10
0.496
MAK-UNK-9a6be56d-29
0.492
MAK-UNK-8fdbca50-2
0.492
MAK-UNK-8fdbca50-32
0.485
MAK-UNK-8fdbca50-17
0.484
MAK-UNK-148caf23-5
0.480
MAK-UNK-148caf23-4
0.476
MAK-UNK-8fdbca50-33
0.473
MAK-UNK-148caf23-8
0.464
MAK-UNK-de9577cf-2
0.462
MAK-UNK-148caf23-3
0.452
MAK-UNK-148caf23-6
0.452
MAK-UNK-8fdbca50-3
0.451
MAK-UNK-9a6be56d-32
0.450
MAK-UNK-148caf23-1
0.449
MAK-UNK-148caf23-2
0.445
MAK-UNK-148caf23-7
0.445
MAK-UNK-9a6be56d-25
0.441
MAK-UNK-9a6be56d-27
0.439
MAK-UNK-9a6be56d-1
0.439
MAK-UNK-8fdbca50-18
0.439
MAK-UNK-8fdbca50-28
0.436
MAK-UNK-9a6be56d-26
0.433
MAK-UNK-9a6be56d-28
0.433
MAK-UNK-de9577cf-11
0.432
MAK-UNK-8fdbca50-23
0.424
MAK-UNK-8fdbca50-13
0.423
MAK-UNK-8fdbca50-30
0.421
MAK-UNK-8fdbca50-14
0.419
MAK-UNK-8fdbca50-20
0.419
MAK-UNK-8fdbca50-27
0.415
MAK-UNK-148caf23-9
0.411
MAK-UNK-8fdbca50-5
0.410
MAK-UNK-8fdbca50-22
0.407
MAK-UNK-9a6be56d-3
0.403
MAK-UNK-de9577cf-3
0.400
MAK-UNK-8fdbca50-11
0.400
MAK-UNK-8fdbca50-26
0.399
MAK-UNK-8fdbca50-12
0.397
MAK-UNK-8fdbca50-8
0.396
MAK-UNK-8fdbca50-24
0.391
MAK-UNK-8fdbca50-7
0.390
MAK-UNK-9a6be56d-8
0.387
MAK-UNK-de9577cf-22
0.386
MAK-UNK-8fdbca50-9
0.384
MAK-UNK-de9577cf-7
0.382
MAK-UNK-de9577cf-6
0.382
MAK-UNK-8fdbca50-21
0.381
MAK-UNK-8fdbca50-6
0.380
MAK-UNK-0955449e-32
0.380
MAK-UNK-de9577cf-4
0.380
MAK-UNK-8fdbca50-31
0.379
MAK-UNK-de9577cf-12
0.374
MAK-UNK-de9577cf-19
0.372
MAK-UNK-8fdbca50-25
0.371
MAK-UNK-de9577cf-5
0.371
MAK-UNK-de9577cf-8
0.368
MAK-UNK-de9577cf-17
0.368
MAK-UNK-8fdbca50-15
0.368
MAK-UNK-9a6be56d-22
0.367
MAK-UNK-0955449e-35
0.366
MAK-UNK-de9577cf-20
0.364
MAK-UNK-de9577cf-16
0.363
MAK-UNK-148caf23-21
0.358
MAK-UNK-0955449e-34
0.358
MAK-UNK-148caf23-10
0.356
MAK-UNK-148caf23-14
0.356
MAK-UNK-8fdbca50-10
0.354
MAK-UNK-148caf23-22
0.351