Molecular Properties | |
SMILES: | CO[C@@]1(C(=O)Nc2cncc3cc(F)c(N(C)C)cc23)CCS(=O)(=O)c2ccc(Cl)cc21 |
MW: | 477.09 |
Fraction sp3: | 0.27 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 88.6 |
cLogP: | 3.75 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
PET-UNK-09a29654-6
0.823
PET-UNK-4b4f2bb7-7
0.791
PET-UNK-7bb24635-3
0.729
PET-UNK-4b4f2bb7-6
0.723
PET-UNK-09a29654-5
0.720
PET-UNK-7bb24635-1
0.711
ALP-POS-6f6ae286-2
0.708
PET-UNK-4b4f2bb7-5
0.708
EDJ-MED-211392e3-1
0.677
MIC-UNK-ea4eb352-1
0.677
PET-UNK-ab76d8f6-1
0.670
PET-UNK-09a29654-4
0.670
PET-UNK-4b4f2bb7-3
0.667
EDJ-MED-211392e3-3
0.660
PET-UNK-4b4f2bb7-2
0.660
PET-UNK-4b4f2bb7-9
0.660
EDJ-MED-211392e3-2
0.653
PET-UNK-4b4f2bb7-8
0.653
PET-UNK-ee8352fa-2
0.650
PET-UNK-b78139fa-15
0.629
PET-UNK-b38839dc-30
0.626
PET-UNK-ab76d8f6-6
0.616
PET-UNK-ab76d8f6-3
0.610
PET-UNK-ab76d8f6-2
0.610
PET-UNK-4b4f2bb7-1
0.598
PET-UNK-4b4f2bb7-4
0.594
PET-UNK-ab76d8f6-5
0.594
PET-UNK-ab76d8f6-4
0.594
PET-UNK-81b485b5-8
0.590
PET-UNK-81b485b5-22
0.590
PET-UNK-f9b7ae87-9
0.575
PET-UNK-b78139fa-16
0.570
PET-UNK-b78139fa-14
0.569
PET-UNK-a7639856-3
0.536
PET-UNK-022eab87-2
0.529
PET-UNK-b78139fa-12
0.524
PET-UNK-ad758083-5
0.523
PET-UNK-b78139fa-11
0.519
MIC-UNK-ea4eb352-9
0.519
PET-UNK-7bb24635-5
0.519
PET-UNK-b78139fa-18
0.515
PET-UNK-b78139fa-17
0.510
PET-UNK-329a9ce9-8
0.500
MIC-UNK-ea4eb352-5
0.500
PET-UNK-0d6841fa-5
0.496
PET-UNK-b38839dc-19
0.491
PET-UNK-e9bc7c59-9
0.483
PET-UNK-e9bc7c59-12
0.479
PET-UNK-a7639856-2
0.478
PET-UNK-6e612674-1
0.477
PET-UNK-6e612674-9
0.477
PET-UNK-ee8352fa-3
0.473
PET-UNK-b78139fa-10
0.472
PET-UNK-d899bab6-2
0.471
PET-UNK-6e612674-13
0.469
PET-UNK-6e612674-5
0.469
PET-UNK-b78139fa-13
0.467
PET-UNK-6e612674-2
0.463
PET-UNK-6e612674-10
0.463
EDJ-MED-70ab3faf-3
0.461
PET-UNK-5d7c542f-1
0.455
ALP-POS-6f6ae286-3
0.455
PET-UNK-1abb40f2-1
0.455
PET-UNK-1abb40f2-3
0.455
PET-UNK-6e612674-6
0.455
PET-UNK-6e612674-14
0.455
EDJ-MED-611d11e7-4
0.455
MAT-POS-a5ef2d74-2
0.455
MAT-POS-ec6d90b7-4
0.455
PET-UNK-407a74a5-16
0.455
EDJ-MED-70ab3faf-1
0.454
PET-UNK-407a74a5-11
0.451
EDJ-MED-70ab3faf-2
0.442
PET-UNK-ee8352fa-1
0.442
PET-UNK-b38839dc-20
0.439
PET-UNK-407a74a5-6
0.436
PET-UNK-81b485b5-7
0.435
PET-UNK-81b485b5-21
0.435
PET-UNK-1abb40f2-2
0.434
PET-UNK-1abb40f2-4
0.434
PET-UNK-6e612674-3
0.431
PET-UNK-6e612674-11
0.431
PET-UNK-b38839dc-28
0.431
PET-UNK-f9b7ae87-8
0.431
PET-UNK-329a9ce9-7
0.429
PET-UNK-09a29654-3
0.425
PET-UNK-ee8352fa-5
0.425
ALF-EVA-82cf4849-4
0.425
PET-UNK-407a74a5-1
0.425
PET-UNK-6e612674-4
0.424
PET-UNK-6e612674-7
0.424
PET-UNK-6e612674-12
0.424
PET-UNK-6e612674-15
0.424
PET-UNK-a7639856-1
0.424
PET-UNK-f9b7ae87-7
0.424
PET-UNK-5d7c542f-2
0.422
PET-UNK-b38839dc-25
0.421
MIC-UNK-7f86385f-1
0.420
PET-UNK-29afea89-2
0.420
EDJ-MED-d08626de-2
0.420