Molecular Properties | |
SMILES: | CN(C(=O)C1CCN(C(=O)CCl)CC1)C(C)(C)NCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1 |
MW: | 590.121 |
Fraction sp3: | 0.39 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 9 |
TPSA: | 104.61 |
cLogP: | 3.6877 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
non_ring_ketal
het-C-het not in ring
Activated haloaromatics
acyclic N-C-N
AAR-POS-d2a4d1df-5
MAK-UNK-8fdbca50-40
0.739
MAK-UNK-8fdbca50-1
0.701
MAK-UNK-8fdbca50-16
0.698
MAK-UNK-8fdbca50-39
0.675
MAK-UNK-8fdbca50-2
0.672
MAK-UNK-8fdbca50-17
0.664
MAK-UNK-8fdbca50-32
0.647
MAK-UNK-8fdbca50-34
0.631
MAK-UNK-8fdbca50-3
0.620
MAK-UNK-8fdbca50-28
0.617
MAK-UNK-8fdbca50-37
0.613
MAK-UNK-8fdbca50-18
0.608
MAK-UNK-8fdbca50-33
0.607
MAK-UNK-8fdbca50-30
0.600
MAK-UNK-8fdbca50-36
0.587
MAK-UNK-8fdbca50-38
0.585
MAK-UNK-8fdbca50-13
0.584
MAK-UNK-8fdbca50-14
0.581
MAK-UNK-8fdbca50-23
0.579
MAK-UNK-8fdbca50-27
0.577
MAK-UNK-8fdbca50-12
0.575
MAK-UNK-8fdbca50-22
0.569
MAK-UNK-8fdbca50-20
0.568
MAK-UNK-8fdbca50-5
0.567
MAK-UNK-8fdbca50-24
0.567
MAK-UNK-8fdbca50-35
0.563
MAK-UNK-8fdbca50-8
0.563
MAK-UNK-8fdbca50-26
0.556
MAK-UNK-8fdbca50-7
0.555
MAK-UNK-8fdbca50-6
0.555
MAK-UNK-8fdbca50-11
0.555
MAK-UNK-8fdbca50-9
0.552
MAK-UNK-8fdbca50-21
0.548
MAK-UNK-702fb7d3-9
0.538
MAK-UNK-8fdbca50-31
0.531
MAK-UNK-8fdbca50-25
0.523
MAK-UNK-8fdbca50-10
0.523
MAK-UNK-702fb7d3-14
0.523
MAK-UNK-702fb7d3-10
0.522
MAK-UNK-702fb7d3-5
0.520
MAK-UNK-702fb7d3-11
0.519
MAK-UNK-702fb7d3-12
0.519
MAK-UNK-702fb7d3-13
0.519
MAK-UNK-8fdbca50-15
0.515
MAK-UNK-702fb7d3-8
0.515
MAK-UNK-702fb7d3-6
0.508
MAK-UNK-702fb7d3-7
0.508
MAK-UNK-de9577cf-1
0.488
MAK-UNK-de9577cf-2
0.487
MAK-UNK-702fb7d3-4
0.485
MAK-UNK-702fb7d3-1
0.481
MAK-UNK-702fb7d3-3
0.481
MAK-UNK-9a6be56d-29
0.481
MAK-UNK-9a6be56d-26
0.477
MAK-UNK-9a6be56d-28
0.477
MAK-UNK-148caf23-3
0.476
MAK-UNK-148caf23-8
0.476
MAK-UNK-9a6be56d-27
0.473
MAK-UNK-de9577cf-10
0.472
MAK-UNK-9a6be56d-31
0.470
MAK-UNK-148caf23-5
0.468
MAK-UNK-702fb7d3-17
0.467
MAK-UNK-148caf23-4
0.465
MAK-UNK-9a6be56d-1
0.462
MAK-UNK-8fdbca50-19
0.462
MAK-UNK-148caf23-1
0.461
MAK-UNK-702fb7d3-2
0.460
MAK-UNK-148caf23-2
0.457
MAK-UNK-702fb7d3-19
0.456
MAK-UNK-148caf23-6
0.453
MAK-UNK-9a6be56d-25
0.453
MAK-UNK-8fdbca50-4
0.452
MAK-UNK-9a6be56d-32
0.451
MAK-UNK-9a6be56d-30
0.448
MAK-UNK-9a6be56d-3
0.447
MAK-UNK-148caf23-7
0.446
MAK-UNK-de9577cf-11
0.444
MAK-UNK-702fb7d3-18
0.439
MAK-UNK-148caf23-9
0.423
MAK-UNK-9a6be56d-8
0.419
MAK-UNK-702fb7d3-20
0.414
MAK-UNK-702fb7d3-21
0.414
MAK-UNK-de9577cf-3
0.413
MAK-UNK-de9577cf-12
0.397
MAK-UNK-9a6be56d-4
0.390
MAK-UNK-de9577cf-19
0.385
MAK-UNK-de9577cf-7
0.383
MAK-UNK-de9577cf-4
0.382
MAK-UNK-9a6be56d-5
0.379
MAK-UNK-9a6be56d-22
0.379
MAK-UNK-de9577cf-22
0.378
MAK-UNK-de9577cf-20
0.377
MAK-UNK-de9577cf-6
0.373
MAK-UNK-0955449e-32
0.371
MAK-UNK-de9577cf-8
0.370
MAK-UNK-de9577cf-17
0.370
MAK-UNK-148caf23-21
0.370
MAK-UNK-9a6be56d-6
0.370
MAK-UNK-9a6be56d-23
0.369
ANT-OPE-a517596a-1
0.368