Molecular Properties | |
SMILES: | O=C1OCCN1CCO[C@@]1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21 |
MW: | 467.12 |
Fraction sp3: | 0.29 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 89.99 |
cLogP: | 3.97 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2021-02-28 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
Long aliphatic chain
EDG-MED-971238d3-1
CHO-MSK-5891c1ff-6
0.817
PET-UNK-3bb57da2-3
0.776
ED_-GRI-5b13fbe2-72
0.765
EDG-MED-4c68219f-10
0.765
RAL-THA-58fba2bc-4
0.765
PET-UNK-824b5c6a-2
0.758
PET-UNK-0cc03aae-5
0.752
ED_-GRI-5b13fbe2-46
0.750
EDG-MED-4c68219f-6
0.747
PET-UNK-4880b143-1
0.745
EDG-MED-4c68219f-16
0.743
ED_-GRI-5b13fbe2-11
0.741
PET-UNK-0cc03aae-2
0.740
PET-UNK-83d689b6-1
0.738
PET-UNK-e5587e5d-1
0.738
MIC-UNK-ddc6ad53-2
0.738
PET-UNK-5d7c542f-4
0.735
MIC-UNK-ddc6ad53-3
0.735
PET-UNK-49566573-2
0.733
EDG-MED-4c68219f-12
0.730
RAL-THA-58fba2bc-2
0.730
ED_-GRI-5b13fbe2-30
0.728
PET-UNK-0cc03aae-1
0.728
PET-UNK-49566573-1
0.728
PET-UNK-824b5c6a-1
0.727
PET-UNK-3bb57da2-4
0.724
ED_-GRI-5b13fbe2-29
0.724
PET-UNK-0cc03aae-3
0.724
ED_-GRI-5b13fbe2-31
0.723
PET-UNK-3bb57da2-1
0.716
PET-UNK-5d7c542f-3
0.714
MIC-UNK-ddc6ad53-1
0.713
PET-UNK-0cc03aae-4
0.710
ED_-GRI-5b13fbe2-33
0.708
ED_-GRI-5b13fbe2-59
0.708
CHO-MSK-5891c1ff-10
0.708
ED_-GRI-5b13fbe2-48
0.708
ED_-GRI-5b13fbe2-8
0.704
PET-UNK-acd70dee-1
0.702
PET-UNK-83d689b6-3
0.701
ED_-GRI-5b13fbe2-65
0.699
MIC-UNK-5d22d78d-1
0.699
ED_-GRI-5b13fbe2-19
0.697
ED_-GRI-5b13fbe2-42
0.695
ED_-GRI-5b13fbe2-43
0.695
EDJ-MED-28ec730d-5
0.694
PET-UNK-5d7c542f-5
0.694
ED_-GRI-5b13fbe2-25
0.694
CHO-MSK-5891c1ff-12
0.694
ED_-GRI-5b13fbe2-40
0.692
ED_-GRI-5b13fbe2-41
0.692
ED_-GRI-5b13fbe2-68
0.692
PET-UNK-83d689b6-4
0.688
PET-UNK-3bb57da2-2
0.686
PET-UNK-acd70dee-5
0.686
ED_-GRI-5b13fbe2-62
0.685
ED_-GRI-5b13fbe2-27
0.684
PET-UNK-d9de6a0b-2
0.682
MIC-UNK-5d22d78d-2
0.679
ED_-GRI-5b13fbe2-69
0.679
ED_-GRI-5b13fbe2-70
0.679
ED_-GRI-5b13fbe2-71
0.679
MIC-UNK-5d22d78d-3
0.679
PET-UNK-d9de6a0b-1
0.679
ED_-GRI-5b13fbe2-15
0.679
PET-UNK-83d689b6-2
0.676
ED_-GRI-5b13fbe2-28
0.675
ED_-GRI-5b13fbe2-47
0.673
MIC-UNK-5d22d78d-4
0.673
ED_-GRI-5b13fbe2-1
0.673
CHO-MSK-5891c1ff-8
0.670
ED_-GRI-5b13fbe2-56
0.670
CHO-MSK-5891c1ff-11
0.667
PET-UNK-acd70dee-3
0.667
PET-UNK-acd70dee-4
0.667
EDG-MED-4c68219f-13
0.664
ED_-GRI-5b13fbe2-39
0.664
ED_-GRI-5b13fbe2-57
0.664
ED_-GRI-5b13fbe2-14
0.664
ED_-GRI-5b13fbe2-23
0.661
EDG-MED-4c68219f-11
0.661
EDG-MED-4c68219f-15
0.661
PET-UNK-acd70dee-2
0.661
ED_-GRI-5b13fbe2-53
0.661
EDJ-MED-28ec730d-4
0.661
ED_-GRI-5b13fbe2-12
0.658
EDG-MED-4c68219f-18
0.658
EDG-MED-4c68219f-7
0.658
CHO-MSK-5891c1ff-9
0.658
EDG-MED-4c68219f-17
0.658
PET-UNK-29afea89-2
0.653
EDG-MED-0e5afe9d-3
0.653
EDJ-MED-d08626de-1
0.653
EDJ-MED-d08626de-2
0.653
ED_-GRI-5b13fbe2-58
0.653
ED_-GRI-5b13fbe2-63
0.653
ED_-GRI-5b13fbe2-34
0.652
CHO-MSK-5891c1ff-2
0.652
CHO-MSK-5891c1ff-5
0.649
MIC-UNK-d58dbb53-1
0.649