Molecular Properties | |
SMILES: | CO[C@@]1(C(=O)Nc2cncc3ccccc23)COc2ccc(Cl)cc21 |
MW: | 354.08 |
Fraction sp3: | 0.16 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 60.45 |
cLogP: | 3.76 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-29afea89-2
0.771
EDJ-MED-d08626de-2
0.771
EDG-MED-0e5afe9d-3
0.771
EDJ-MED-d08626de-1
0.771
VLA-UNK-a5257d84-1
0.709
PET-UNK-c0891748-11
0.693
PET-UNK-c0891748-5
0.693
PET-UNK-3bb57da2-3
0.692
PET-UNK-10c83c8b-1
0.678
PET-UNK-824b5c6a-1
0.678
PET-UNK-c0891748-9
0.674
PET-UNK-c0891748-3
0.674
PET-UNK-3bb57da2-2
0.670
DAR-DIA-e7614d05-1
0.667
DAR-DIA-e7614d05-2
0.667
ALP-POS-93b3621f-1
0.667
DAR-DIA-e7614d05-3
0.667
PET-UNK-bcc8fd08-1
0.667
EDG-MED-4c68219f-16
0.660
PET-UNK-824b5c6a-2
0.656
PET-UNK-acd70dee-1
0.653
PET-UNK-824b5c6a-3
0.652
PET-UNK-5d7c542f-3
0.649
PET-UNK-3bb57da2-1
0.649
PET-UNK-49566573-1
0.646
PET-UNK-0cc03aae-1
0.646
RAL-THA-58fba2bc-2
0.645
ED_-GRI-5b13fbe2-72
0.645
EDG-MED-4c68219f-6
0.645
EDG-MED-4c68219f-10
0.645
RAL-THA-58fba2bc-4
0.645
EDG-MED-4c68219f-12
0.645
MIC-UNK-ddc6ad53-1
0.645
ED_-GRI-5b13fbe2-68
0.642
PET-UNK-e5587e5d-1
0.639
MIC-UNK-ddc6ad53-3
0.635
MIC-UNK-5d22d78d-1
0.632
MIC-UNK-5d22d78d-2
0.629
PET-UNK-4880b143-1
0.629
ED_-GRI-5b13fbe2-33
0.626
ED_-GRI-5b13fbe2-29
0.626
PET-UNK-0cc03aae-2
0.626
EDJ-MED-e4b030d8-1
0.625
DAR-DIA-0d514e7d-30
0.625
ED_-GRI-5b13fbe2-40
0.625
VLA-UCB-1dbca3b4-14
0.625
ED_-GRI-5b13fbe2-41
0.625
MAT-POS-2905de8c-3
0.625
MIC-UNK-ddc6ad53-2
0.622
PET-UNK-acd70dee-5
0.619
PET-UNK-5d7c542f-4
0.619
EDJ-MED-28ec730d-3
0.619
PET-UNK-0cc03aae-5
0.619
PET-UNK-022eab87-2
0.618
PET-UNK-0cc03aae-4
0.614
ED_-GRI-5b13fbe2-70
0.612
MIC-UNK-5d22d78d-3
0.612
ED_-GRI-5b13fbe2-69
0.612
ED_-GRI-5b13fbe2-71
0.612
PET-UNK-d9de6a0b-1
0.612
ED_-GRI-5b13fbe2-30
0.612
ED_-GRI-5b13fbe2-42
0.612
ED_-GRI-5b13fbe2-43
0.612
MAT-POS-2905de8c-2
0.611
PET-UNK-0cc03aae-3
0.610
ED_-GRI-5b13fbe2-48
0.610
PET-UNK-3bb57da2-4
0.610
PET-UNK-1b92fa34-5
0.609
EDG-MED-4c68219f-7
0.608
BEN-DND-a7517465-4
0.607
MAT-POS-8e4737f4-1
0.607
EDJ-MED-e4b030d8-13
0.607
DAR-DIA-6a508060-10
0.607
MAT-POS-89bd6af1-4
0.606
EDJ-MED-b1cef252-1
0.606
MAT-POS-83a7b0a0-1
0.606
MIC-UNK-5d22d78d-4
0.606
ED_-GRI-5b13fbe2-47
0.606
EDJ-MED-37aac4bd-1
0.604
MAT-POS-78e1d523-3
0.604
EDJ-MED-d08626de-3
0.604
MAT-POS-78e1d523-4
0.604
EDJ-MED-d08626de-4
0.604
EDJ-MED-d08626de-5
0.604
CHO-MSK-5891c1ff-8
0.604
PET-UNK-acd70dee-4
0.600
PET-UNK-d9de6a0b-2
0.600
ED_-GRI-5b13fbe2-15
0.600
PET-UNK-acd70dee-3
0.600
MAT-POS-993cdc78-2
0.596
ALP-POS-fe871b40-11
0.596
MAT-POS-993cdc78-1
0.596
CHO-MSK-5891c1ff-10
0.594
ED_-GRI-5b13fbe2-53
0.594
EDJ-MED-28ec730d-4
0.594
EDG-MED-4c68219f-15
0.594
ED_-GRI-5b13fbe2-59
0.594
PET-UNK-acd70dee-2
0.594
PET-UNK-9bf1291a-5
0.594
EDG-MED-971238d3-11
0.593