Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)[C@]1(OCC2CCCC2)CCOc2ccc(Cl)cc21 |
MW: | 436.16 |
Fraction sp3: | 0.36 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 60.45 |
cLogP: | 5.71 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MIC-UNK-5d22d78d-1
0.932
PET-UNK-d9de6a0b-1
0.840
PET-UNK-d9de6a0b-2
0.823
MIC-UNK-d58dbb53-3
0.792
ED_-GRI-5b13fbe2-70
0.784
ED_-GRI-5b13fbe2-71
0.784
ED_-GRI-5b13fbe2-69
0.784
MIC-UNK-d58dbb53-1
0.780
EDG-MED-4c68219f-6
0.768
EDG-MED-4c68219f-10
0.768
PET-UNK-824b5c6a-1
0.766
ED_-GRI-5b13fbe2-39
0.762
PET-UNK-acd70dee-5
0.755
RAL-THA-58fba2bc-2
0.750
RAL-THA-58fba2bc-4
0.750
EDG-MED-4c68219f-12
0.750
MIC-UNK-ddc6ad53-1
0.750
ED_-GRI-5b13fbe2-72
0.750
ED_-GRI-5b13fbe2-68
0.745
ED_-GRI-5b13fbe2-41
0.745
ED_-GRI-5b13fbe2-40
0.745
PET-UNK-824b5c6a-2
0.742
PET-UNK-3bb57da2-3
0.742
ED_-GRI-5b13fbe2-47
0.740
ED_-GRI-5b13fbe2-13
0.738
PET-UNK-0cc03aae-5
0.737
PET-UNK-3bb57da2-1
0.735
ED_-GRI-5b13fbe2-20
0.733
ED_-GRI-5b13fbe2-21
0.733
CHO-MSK-5891c1ff-1
0.733
ED_-GRI-5b13fbe2-22
0.733
ED_-GRI-5b13fbe2-42
0.730
MIC-UNK-5d22d78d-2
0.730
MIC-UNK-5d22d78d-3
0.730
ED_-GRI-5b13fbe2-43
0.730
EDG-MED-4c68219f-16
0.727
PET-UNK-3bb57da2-4
0.725
ED_-GRI-5b13fbe2-50
0.724
PET-UNK-3bb57da2-2
0.720
PET-UNK-5d7c542f-4
0.720
MIC-UNK-ddc6ad53-3
0.720
PET-UNK-acd70dee-1
0.720
CHO-MSK-5891c1ff-8
0.718
PET-UNK-acd70dee-3
0.716
PET-UNK-acd70dee-4
0.716
PET-UNK-49566573-1
0.713
ED_-GRI-5b13fbe2-30
0.713
PET-UNK-4880b143-1
0.713
PET-UNK-0cc03aae-1
0.713
ED_-GRI-5b13fbe2-57
0.712
CHO-MSK-5891c1ff-10
0.709
PET-UNK-acd70dee-2
0.709
PET-UNK-0cc03aae-3
0.709
ED_-GRI-5b13fbe2-48
0.709
EDG-MED-4c68219f-15
0.709
ED_-GRI-5b13fbe2-53
0.709
EDJ-MED-28ec730d-4
0.709
MIC-UNK-ddc6ad53-2
0.706
PET-UNK-e5587e5d-1
0.706
PET-UNK-49566573-2
0.702
PET-UNK-5d7c542f-3
0.699
PET-UNK-acd70dee-6
0.695
ED_-GRI-5b13fbe2-33
0.692
ED_-GRI-5b13fbe2-29
0.692
PET-UNK-0cc03aae-2
0.692
ED_-GRI-5b13fbe2-59
0.692
EDG-MED-4c68219f-8
0.689
EDG-MED-4c68219f-17
0.689
EDG-MED-0e5afe9d-3
0.688
EDJ-MED-d08626de-1
0.688
EDJ-MED-d08626de-2
0.688
PET-UNK-29afea89-2
0.688
PET-UNK-824b5c6a-3
0.687
PET-UNK-83d689b6-3
0.686
ALP-POS-93b3621f-1
0.684
DAR-DIA-e7614d05-2
0.684
PET-UNK-bcc8fd08-1
0.684
DAR-DIA-e7614d05-1
0.684
DAR-DIA-e7614d05-3
0.684
CHO-MSK-5891c1ff-2
0.682
ED_-GRI-5b13fbe2-14
0.679
CHO-MSK-5891c1ff-12
0.679
PET-UNK-5d7c542f-5
0.679
PET-UNK-0cc03aae-4
0.679
ED_-GRI-5b13fbe2-25
0.679
EDJ-MED-28ec730d-5
0.679
CHO-MSK-5891c1ff-5
0.679
CHO-MSK-5891c1ff-7
0.676
EDG-MED-4c68219f-7
0.673
CHO-MSK-5891c1ff-9
0.673
PET-UNK-83d689b6-4
0.673
ED_-GRI-5b13fbe2-8
0.673
CHO-MSK-5891c1ff-3
0.673
EDG-MED-4c68219f-18
0.673
ED_-GRI-5b13fbe2-62
0.670
ED_-GRI-5b13fbe2-51
0.670
ED_-GRI-5b13fbe2-19
0.667
CHO-MSK-5891c1ff-11
0.667
ED_-GRI-5b13fbe2-15
0.664
ED_-GRI-5b13fbe2-11
0.664