Molecular Properties | |
SMILES: | NC(=O)CN1CCN(CCO[C@@]2(C(=O)Nc3cncc4ccccc34)CCOc3ccc(Cl)cc32)CC1 |
MW: | 523.2 |
Fraction sp3: | 0.37 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 110.02 |
cLogP: | 2.62 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
EDG-MED-4c68219f-10
0.770
CHO-MSK-5891c1ff-3
0.741
ED_-GRI-5b13fbe2-72
0.735
RAL-THA-58fba2bc-4
0.735
EDG-MED-4c68219f-6
0.735
PET-UNK-3bb57da2-3
0.728
PET-UNK-824b5c6a-2
0.728
ED_-GRI-5b13fbe2-31
0.728
PET-UNK-5d7c542f-4
0.724
CHO-MSK-5891c1ff-6
0.723
ED_-GRI-5b13fbe2-23
0.723
PET-UNK-49566573-2
0.722
EDG-MED-4c68219f-16
0.714
ED_-GRI-5b13fbe2-29
0.713
PET-UNK-83d689b6-1
0.712
MIC-UNK-ddc6ad53-3
0.708
PET-UNK-0cc03aae-5
0.708
ED_-GRI-5b13fbe2-65
0.704
PET-UNK-0cc03aae-1
0.701
ED_-GRI-5b13fbe2-30
0.701
PET-UNK-4880b143-1
0.701
PET-UNK-49566573-1
0.701
PET-UNK-824b5c6a-1
0.699
ED_-GRI-5b13fbe2-68
0.698
ED_-GRI-5b13fbe2-33
0.697
MIC-UNK-ddc6ad53-2
0.694
PET-UNK-e5587e5d-1
0.694
PET-UNK-83d689b6-3
0.691
MIC-UNK-5d22d78d-1
0.689
PET-UNK-5d7c542f-3
0.688
MIC-UNK-ddc6ad53-1
0.686
EDG-MED-4c68219f-12
0.686
RAL-THA-58fba2bc-2
0.686
ED_-GRI-5b13fbe2-69
0.685
ED_-GRI-5b13fbe2-71
0.685
ED_-GRI-5b13fbe2-70
0.685
ED_-GRI-5b13fbe2-40
0.682
ED_-GRI-5b13fbe2-41
0.682
PET-UNK-0cc03aae-3
0.682
CHO-MSK-5891c1ff-10
0.682
ED_-GRI-5b13fbe2-48
0.682
ED_-GRI-5b13fbe2-59
0.682
PET-UNK-3bb57da2-4
0.682
PET-UNK-0cc03aae-2
0.682
ED_-GRI-5b13fbe2-28
0.681
ED_-GRI-5b13fbe2-8
0.679
PET-UNK-83d689b6-4
0.679
ED_-GRI-5b13fbe2-56
0.675
ED_-GRI-5b13fbe2-27
0.675
PET-UNK-3bb57da2-1
0.673
ED_-GRI-5b13fbe2-43
0.670
ED_-GRI-5b13fbe2-42
0.670
PET-UNK-d9de6a0b-1
0.670
CHO-MSK-5891c1ff-12
0.670
EDJ-MED-28ec730d-5
0.670
PET-UNK-5d7c542f-5
0.670
ED_-GRI-5b13fbe2-25
0.670
PET-UNK-0cc03aae-4
0.670
ED_-GRI-5b13fbe2-46
0.667
PET-UNK-83d689b6-2
0.667
EDG-MED-4c68219f-8
0.664
MIC-UNK-5d22d78d-4
0.664
ED_-GRI-5b13fbe2-38
0.661
PET-UNK-acd70dee-5
0.661
PET-UNK-3bb57da2-2
0.661
PET-UNK-acd70dee-1
0.661
ED_-GRI-5b13fbe2-63
0.658
ED_-GRI-5b13fbe2-34
0.658
ED_-GRI-5b13fbe2-19
0.658
PET-UNK-acd70dee-4
0.658
PET-UNK-d9de6a0b-2
0.658
ED_-GRI-5b13fbe2-15
0.655
ED_-GRI-5b13fbe2-57
0.655
MIC-UNK-5d22d78d-2
0.655
MIC-UNK-5d22d78d-3
0.655
ED_-GRI-5b13fbe2-73
0.652
ED_-GRI-5b13fbe2-1
0.650
ED_-GRI-5b13fbe2-47
0.649
ED_-GRI-5b13fbe2-62
0.647
ED_-GRI-5b13fbe2-58
0.645
PET-UNK-acd70dee-3
0.643
PET-UNK-acd70dee-6
0.640
MIC-UNK-d58dbb53-1
0.640
ED_-GRI-5b13fbe2-14
0.640
ED_-GRI-5b13fbe2-39
0.640
ED_-GRI-5b13fbe2-50
0.638
ED_-GRI-5b13fbe2-53
0.637
EDJ-MED-28ec730d-4
0.637
EDG-MED-4c68219f-15
0.637
PET-UNK-acd70dee-2
0.637
ED_-GRI-5b13fbe2-54
0.637
ED_-GRI-5b13fbe2-3
0.636
ED_-GRI-5b13fbe2-4
0.636
ED_-GRI-5b13fbe2-5
0.636
ED_-GRI-5b13fbe2-10
0.636
ED_-GRI-5b13fbe2-12
0.636
EDG-MED-4c68219f-18
0.636
ED_-GRI-5b13fbe2-60
0.635
ED_-GRI-5b13fbe2-13
0.635
EDG-MED-4c68219f-17
0.635