Molecular Properties | |
SMILES: | N[C@@H]1C[C@H]1CO[C@@]1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21 |
MW: | 423.13 |
Fraction sp3: | 0.3 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 86.47 |
cLogP: | 3.87 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ED_-GRI-5b13fbe2-70
1.000
ED_-GRI-5b13fbe2-69
1.000
MIC-UNK-5d22d78d-1
0.817
EDG-MED-4c68219f-6
0.796
PET-UNK-d9de6a0b-1
0.792
PET-UNK-824b5c6a-2
0.787
MIC-UNK-5d22d78d-4
0.784
EDG-MED-4c68219f-10
0.777
PET-UNK-d9de6a0b-2
0.776
PET-UNK-824b5c6a-1
0.774
MIC-UNK-d58dbb53-1
0.770
RAL-THA-58fba2bc-4
0.758
MIC-UNK-ddc6ad53-1
0.758
EDG-MED-4c68219f-12
0.758
RAL-THA-58fba2bc-2
0.758
ED_-GRI-5b13fbe2-72
0.758
ED_-GRI-5b13fbe2-40
0.753
ED_-GRI-5b13fbe2-41
0.753
ED_-GRI-5b13fbe2-68
0.753
ED_-GRI-5b13fbe2-39
0.752
PET-UNK-3bb57da2-3
0.750
ED_-GRI-5b13fbe2-13
0.745
PET-UNK-5d7c542f-4
0.745
PET-UNK-acd70dee-1
0.745
PET-UNK-3bb57da2-1
0.742
CHO-MSK-5891c1ff-1
0.740
ED_-GRI-5b13fbe2-43
0.737
ED_-GRI-5b13fbe2-42
0.737
PET-UNK-49566573-1
0.737
EDG-MED-4c68219f-16
0.735
ED_-GRI-5b13fbe2-50
0.731
MIC-UNK-d58dbb53-3
0.731
PET-UNK-3bb57da2-2
0.727
PET-UNK-0cc03aae-5
0.727
MIC-UNK-ddc6ad53-3
0.727
PET-UNK-acd70dee-5
0.727
ED_-GRI-5b13fbe2-20
0.724
ED_-GRI-5b13fbe2-21
0.724
ED_-GRI-5b13fbe2-22
0.724
PET-UNK-acd70dee-4
0.723
PET-UNK-0cc03aae-1
0.720
ED_-GRI-5b13fbe2-30
0.720
PET-UNK-4880b143-1
0.720
MIC-UNK-5d22d78d-2
0.720
MIC-UNK-5d22d78d-3
0.720
PET-UNK-0cc03aae-3
0.716
ED_-GRI-5b13fbe2-29
0.716
PET-UNK-3bb57da2-4
0.716
PET-UNK-acd70dee-2
0.716
MIC-UNK-ddc6ad53-2
0.713
ED_-GRI-5b13fbe2-47
0.713
PET-UNK-e5587e5d-1
0.713
CHO-MSK-5891c1ff-8
0.709
PET-UNK-83d689b6-3
0.709
PET-UNK-5d7c542f-3
0.706
PET-UNK-acd70dee-3
0.706
PET-UNK-acd70dee-6
0.702
ED_-GRI-5b13fbe2-53
0.699
EDJ-MED-28ec730d-4
0.699
EDG-MED-4c68219f-15
0.699
CHO-MSK-5891c1ff-10
0.699
ED_-GRI-5b13fbe2-33
0.699
ED_-GRI-5b13fbe2-48
0.699
ED_-GRI-5b13fbe2-59
0.699
PET-UNK-0cc03aae-2
0.699
ED_-GRI-5b13fbe2-8
0.695
EDG-MED-4c68219f-17
0.695
PET-UNK-29afea89-2
0.695
EDJ-MED-d08626de-2
0.695
EDG-MED-0e5afe9d-3
0.695
EDJ-MED-d08626de-1
0.695
PET-UNK-49566573-2
0.692
CHO-MSK-5891c1ff-2
0.689
CHO-MSK-5891c1ff-12
0.686
EDJ-MED-28ec730d-5
0.686
PET-UNK-5d7c542f-5
0.686
ED_-GRI-5b13fbe2-14
0.686
ED_-GRI-5b13fbe2-25
0.686
ED_-GRI-5b13fbe2-57
0.686
PET-UNK-0cc03aae-4
0.686
ED_-GRI-5b13fbe2-11
0.685
EDG-MED-4c68219f-7
0.679
CHO-MSK-5891c1ff-3
0.679
CHO-MSK-5891c1ff-9
0.679
EDG-MED-4c68219f-8
0.679
PET-UNK-83d689b6-4
0.679
EDG-MED-4c68219f-18
0.679
ED_-GRI-5b13fbe2-26
0.679
PET-UNK-824b5c6a-3
0.677
ED_-GRI-5b13fbe2-51
0.676
ED_-GRI-5b13fbe2-62
0.676
DAR-DIA-e7614d05-1
0.673
ALP-POS-93b3621f-1
0.673
DAR-DIA-e7614d05-2
0.673
DAR-DIA-e7614d05-3
0.673
PET-UNK-bcc8fd08-1
0.673
ED_-GRI-5b13fbe2-19
0.673
CHO-MSK-5891c1ff-11
0.673
ED_-GRI-5b13fbe2-15
0.670
CHO-MSK-5891c1ff-5
0.670