Molecular Properties | |
SMILES: | CNC(c1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1)N(C(=O)C1CCN(C(=O)CCl)CC1)C(C)C |
MW: | 590.121 |
Fraction sp3: | 0.39 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 9 |
TPSA: | 104.61 |
cLogP: | 3.8586 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
non_ring_acetal
het-C-het not in ring
Activated haloaromatics
acyclic N-C-N
AAR-POS-d2a4d1df-5
MAK-UNK-8fdbca50-3
0.739
MAK-UNK-8fdbca50-17
0.681
MAK-UNK-8fdbca50-2
0.632
MAK-UNK-8fdbca50-16
0.630
MAK-UNK-8fdbca50-1
0.620
MAK-UNK-8fdbca50-40
0.610
MAK-UNK-8fdbca50-41
0.608
MAK-UNK-8fdbca50-39
0.595
MAK-UNK-8fdbca50-32
0.582
MAK-UNK-8fdbca50-20
0.556
MAK-UNK-8fdbca50-33
0.556
MAK-UNK-8fdbca50-5
0.556
MAK-UNK-8fdbca50-34
0.556
MAK-UNK-8fdbca50-28
0.553
MAK-UNK-8fdbca50-37
0.551
MAK-UNK-8fdbca50-30
0.549
MAK-UNK-8fdbca50-22
0.545
MAK-UNK-8fdbca50-14
0.544
MAK-UNK-8fdbca50-31
0.544
MAK-UNK-8fdbca50-27
0.540
MAK-UNK-8fdbca50-36
0.539
MAK-UNK-8fdbca50-13
0.535
MAK-UNK-8fdbca50-23
0.528
MAK-UNK-8fdbca50-12
0.527
MAK-UNK-8fdbca50-38
0.524
MAK-UNK-8fdbca50-26
0.520
MAK-UNK-8fdbca50-11
0.519
MAK-UNK-8fdbca50-24
0.516
MAK-UNK-8fdbca50-7
0.508
MAK-UNK-8fdbca50-9
0.504
MAK-UNK-8fdbca50-35
0.504
MAK-UNK-8fdbca50-8
0.504
MAK-UNK-8fdbca50-15
0.504
MAK-UNK-8fdbca50-21
0.500
MAK-UNK-de9577cf-12
0.500
MAK-UNK-8fdbca50-19
0.496
MAK-UNK-8fdbca50-6
0.485
MAK-UNK-8fdbca50-25
0.477
MAK-UNK-8fdbca50-4
0.473
MAK-UNK-8fdbca50-10
0.466
MAK-UNK-148caf23-10
0.464
MAK-UNK-9a6be56d-9
0.454
MAK-UNK-de9577cf-3
0.446
MAK-UNK-702fb7d3-7
0.441
MAK-UNK-702fb7d3-6
0.441
MAK-UNK-702fb7d3-5
0.439
MAK-UNK-702fb7d3-8
0.439
MAK-UNK-de9577cf-2
0.438
MAK-UNK-702fb7d3-9
0.438
MAK-UNK-702fb7d3-10
0.436
MAK-UNK-702fb7d3-14
0.435
MAK-UNK-702fb7d3-21
0.434
MAK-UNK-702fb7d3-13
0.433
MAK-UNK-702fb7d3-12
0.432
MAK-UNK-702fb7d3-11
0.432
MAK-UNK-de9577cf-1
0.429
MAK-UNK-148caf23-7
0.423
MAK-UNK-de9577cf-11
0.421
MAK-UNK-702fb7d3-4
0.420
MAK-UNK-9a6be56d-31
0.415
MAK-UNK-702fb7d3-19
0.413
MAK-UNK-702fb7d3-17
0.413
MAK-UNK-9a6be56d-4
0.409
MAK-UNK-9a6be56d-8
0.407
MAK-UNK-702fb7d3-2
0.407
MAK-UNK-de9577cf-10
0.403
MAK-UNK-9a6be56d-3
0.403
MAK-UNK-702fb7d3-20
0.403
MAK-UNK-148caf23-9
0.400
MAK-UNK-702fb7d3-1
0.397
MAK-UNK-702fb7d3-3
0.397
MAK-UNK-702fb7d3-18
0.397
MAK-UNK-148caf23-3
0.397
MAK-UNK-148caf23-6
0.397
MAK-UNK-9a6be56d-29
0.394
MAK-UNK-148caf23-2
0.391
MAK-UNK-9a6be56d-25
0.390
MAK-UNK-148caf23-5
0.389
MAK-UNK-9a6be56d-32
0.387
MAK-UNK-9a6be56d-27
0.387
MAK-UNK-148caf23-4
0.386
MAK-UNK-148caf23-8
0.386
MAK-UNK-9a6be56d-30
0.384
MAK-UNK-9a6be56d-28
0.381
MAK-UNK-9a6be56d-26
0.381
MAK-UNK-9a6be56d-1
0.377
MAK-UNK-148caf23-1
0.373
MAK-UNK-de9577cf-15
0.369
MAK-UNK-de9577cf-13
0.364
MAK-UNK-de9577cf-22
0.356
MAK-UNK-9a6be56d-10
0.353
MAK-UNK-9a6be56d-12
0.353
PEI-IMP-ca0b2813-1
0.352
MAK-UNK-148caf23-12
0.351
MAK-UNK-de9577cf-4
0.348
MAK-UNK-148caf23-11
0.348
MAK-UNK-9a6be56d-5
0.348
MAK-UNK-9a6be56d-14
0.345
SAD-SAT-29425be4-27
0.342
MAK-UNK-de9577cf-7
0.341