Molecular Properties | |
SMILES: | CC(=O)N(C)CCO[C@@]1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21 |
MW: | 453.15 |
Fraction sp3: | 0.29 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 80.76 |
cLogP: | 4.0 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
PET-UNK-3bb57da2-3
0.800
PET-UNK-0cc03aae-4
0.800
PET-UNK-824b5c6a-2
0.800
MIC-UNK-ddc6ad53-3
0.794
EDG-MED-4c68219f-10
0.789
RAL-THA-58fba2bc-4
0.789
ED_-GRI-5b13fbe2-72
0.789
PET-UNK-0cc03aae-1
0.786
PET-UNK-49566573-1
0.786
EDG-MED-4c68219f-16
0.784
ED_-GRI-5b13fbe2-33
0.780
PET-UNK-0cc03aae-5
0.776
EDG-MED-4c68219f-6
0.771
PET-UNK-5d7c542f-3
0.770
PET-UNK-824b5c6a-1
0.768
ED_-GRI-5b13fbe2-30
0.768
PET-UNK-4880b143-1
0.768
ED_-GRI-5b13fbe2-34
0.764
PET-UNK-e5587e5d-1
0.760
PET-UNK-5d7c542f-4
0.758
ED_-GRI-5b13fbe2-48
0.745
ED_-GRI-5b13fbe2-29
0.745
PET-UNK-0cc03aae-3
0.745
MIC-UNK-ddc6ad53-2
0.743
CHO-MSK-5891c1ff-3
0.740
PET-UNK-3bb57da2-2
0.740
PET-UNK-acd70dee-1
0.740
PET-UNK-3bb57da2-1
0.737
EDG-MED-4c68219f-12
0.735
RAL-THA-58fba2bc-2
0.735
MIC-UNK-ddc6ad53-1
0.735
MIC-UNK-5d22d78d-2
0.733
PET-UNK-5d7c542f-5
0.731
ED_-GRI-5b13fbe2-68
0.730
ED_-GRI-5b13fbe2-15
0.729
ED_-GRI-5b13fbe2-59
0.728
PET-UNK-3bb57da2-4
0.728
PET-UNK-83d689b6-4
0.724
ED_-GRI-5b13fbe2-12
0.722
PET-UNK-49566573-2
0.721
PET-UNK-83d689b6-3
0.721
MIC-UNK-5d22d78d-1
0.720
ED_-GRI-5b13fbe2-62
0.720
PET-UNK-d9de6a0b-1
0.716
EDJ-MED-28ec730d-5
0.714
ED_-GRI-5b13fbe2-25
0.714
CHO-MSK-5891c1ff-12
0.714
ED_-GRI-5b13fbe2-40
0.713
ED_-GRI-5b13fbe2-41
0.713
ED_-GRI-5b13fbe2-8
0.708
EDG-MED-4c68219f-7
0.708
PET-UNK-acd70dee-5
0.706
PET-UNK-d9de6a0b-2
0.702
ED_-GRI-5b13fbe2-19
0.701
ED_-GRI-5b13fbe2-42
0.699
ED_-GRI-5b13fbe2-43
0.699
ED_-GRI-5b13fbe2-69
0.699
ED_-GRI-5b13fbe2-70
0.699
ED_-GRI-5b13fbe2-71
0.699
MIC-UNK-5d22d78d-3
0.699
PET-UNK-83d689b6-2
0.694
PET-UNK-83d689b6-1
0.694
ED_-GRI-5b13fbe2-47
0.692
MIC-UNK-5d22d78d-4
0.692
CHO-MSK-5891c1ff-6
0.691
PET-UNK-29afea89-2
0.691
EDG-MED-0e5afe9d-3
0.691
EDJ-MED-d08626de-1
0.691
EDJ-MED-d08626de-2
0.691
ED_-GRI-5b13fbe2-56
0.688
PET-UNK-acd70dee-3
0.686
PET-UNK-acd70dee-4
0.686
ED_-GRI-5b13fbe2-57
0.682
ED_-GRI-5b13fbe2-11
0.682
EDG-MED-4c68219f-13
0.682
EDG-MED-4c68219f-15
0.679
CHO-MSK-5891c1ff-10
0.679
PET-UNK-acd70dee-2
0.679
ED_-GRI-5b13fbe2-53
0.679
EDJ-MED-28ec730d-4
0.679
ED_-GRI-5b13fbe2-13
0.676
EDG-MED-4c68219f-17
0.676
ED_-GRI-5b13fbe2-1
0.676
CHO-MSK-5891c1ff-8
0.673
ED_-GRI-5b13fbe2-65
0.673
CHO-MSK-5891c1ff-11
0.670
ED_-GRI-5b13fbe2-31
0.667
ED_-GRI-5b13fbe2-39
0.667
MIC-UNK-d58dbb53-1
0.667
PET-UNK-acd70dee-6
0.667
ED_-GRI-5b13fbe2-14
0.667
MIC-UNK-d58dbb53-3
0.664
ED_-GRI-5b13fbe2-73
0.664
ED_-GRI-5b13fbe2-50
0.664
ED_-GRI-5b13fbe2-10
0.661
EDG-MED-4c68219f-8
0.661
CHO-MSK-5891c1ff-9
0.661
ED_-GRI-5b13fbe2-20
0.658
ED_-GRI-5b13fbe2-21
0.658
ED_-GRI-5b13fbe2-51
0.658