Molecular Properties | |
SMILES: | CN(C)S(=O)(=O)CCO[C@@]1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21 |
MW: | 489.11 |
Fraction sp3: | 0.3 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 97.83 |
cLogP: | 3.41 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
Hetero_hetero
PET-UNK-4880b143-1
0.871
PET-UNK-5d7c542f-4
0.860
PET-UNK-3bb57da2-2
0.840
PET-UNK-3bb57da2-3
0.828
PET-UNK-824b5c6a-2
0.809
PET-UNK-5d7c542f-5
0.808
EDG-MED-4c68219f-10
0.798
ED_-GRI-5b13fbe2-72
0.798
RAL-THA-58fba2bc-4
0.798
PET-UNK-49566573-1
0.794
PET-UNK-0cc03aae-1
0.794
EDG-MED-4c68219f-16
0.792
PET-UNK-0cc03aae-4
0.790
PET-UNK-0cc03aae-3
0.788
PET-UNK-e5587e5d-1
0.786
MIC-UNK-ddc6ad53-3
0.784
PET-UNK-3bb57da2-1
0.781
PET-UNK-824b5c6a-1
0.777
ED_-GRI-5b13fbe2-29
0.770
ED_-GRI-5b13fbe2-33
0.770
PET-UNK-0cc03aae-2
0.770
MIC-UNK-ddc6ad53-2
0.768
PET-UNK-0cc03aae-5
0.765
ED_-GRI-5b13fbe2-30
0.758
ED_-GRI-5b13fbe2-48
0.752
PET-UNK-3bb57da2-4
0.752
PET-UNK-acd70dee-1
0.747
PET-UNK-83d689b6-3
0.745
EDG-MED-4c68219f-12
0.742
EDG-MED-4c68219f-6
0.742
MIC-UNK-ddc6ad53-1
0.742
RAL-THA-58fba2bc-2
0.742
ED_-GRI-5b13fbe2-68
0.737
ED_-GRI-5b13fbe2-15
0.736
ED_-GRI-5b13fbe2-59
0.735
ED_-GRI-5b13fbe2-8
0.731
PET-UNK-49566573-2
0.728
MIC-UNK-5d22d78d-1
0.727
ED_-GRI-5b13fbe2-62
0.726
ED_-GRI-5b13fbe2-19
0.724
MIC-UNK-5d22d78d-2
0.723
ED_-GRI-5b13fbe2-25
0.721
CHO-MSK-5891c1ff-12
0.721
EDJ-MED-28ec730d-5
0.721
ED_-GRI-5b13fbe2-40
0.720
ED_-GRI-5b13fbe2-41
0.720
CHO-MSK-5891c1ff-3
0.714
PET-UNK-83d689b6-4
0.714
PET-UNK-acd70dee-5
0.713
ED_-GRI-5b13fbe2-34
0.706
ED_-GRI-5b13fbe2-70
0.706
ED_-GRI-5b13fbe2-43
0.706
ED_-GRI-5b13fbe2-69
0.706
ED_-GRI-5b13fbe2-71
0.706
PET-UNK-d9de6a0b-1
0.706
MIC-UNK-5d22d78d-3
0.706
ED_-GRI-5b13fbe2-42
0.706
EDG-MED-4c68219f-15
0.702
PET-UNK-83d689b6-2
0.701
PET-UNK-83d689b6-1
0.701
ED_-GRI-5b13fbe2-47
0.699
MIC-UNK-5d22d78d-4
0.699
EDG-MED-4c68219f-7
0.698
EDG-MED-0e5afe9d-3
0.698
PET-UNK-29afea89-2
0.698
EDJ-MED-d08626de-1
0.698
EDJ-MED-d08626de-2
0.698
ED_-GRI-5b13fbe2-56
0.694
PET-UNK-acd70dee-3
0.692
PET-UNK-acd70dee-4
0.692
PET-UNK-d9de6a0b-2
0.692
ED_-GRI-5b13fbe2-11
0.688
EDJ-MED-28ec730d-4
0.686
ED_-GRI-5b13fbe2-53
0.686
CHO-MSK-5891c1ff-10
0.686
PET-UNK-acd70dee-2
0.686
EDG-MED-4c68219f-17
0.682
CHO-MSK-5891c1ff-9
0.682
ED_-GRI-5b13fbe2-1
0.682
ED_-GRI-5b13fbe2-12
0.682
CHO-MSK-5891c1ff-6
0.682
CHO-MSK-5891c1ff-8
0.679
ED_-GRI-5b13fbe2-65
0.679
CHO-MSK-5891c1ff-11
0.676
ED_-GRI-5b13fbe2-6
0.676
ED_-GRI-5b13fbe2-57
0.673
ED_-GRI-5b13fbe2-14
0.673
ED_-GRI-5b13fbe2-39
0.673
MIC-UNK-d58dbb53-1
0.673
PET-UNK-acd70dee-6
0.673
EDG-MED-4c68219f-13
0.673
ED_-GRI-5b13fbe2-73
0.670
ED_-GRI-5b13fbe2-50
0.670
ED_-GRI-5b13fbe2-13
0.667
EDG-MED-4c68219f-8
0.667
ED_-GRI-5b13fbe2-63
0.661
CHO-MSK-5891c1ff-2
0.661
DAR-DIA-e7614d05-2
0.660
ALP-POS-93b3621f-1
0.660
DAR-DIA-e7614d05-3
0.660