Molecular Properties | |
SMILES: | CN(C)C(=O)CCO[C@@]1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21 |
MW: | 453.15 |
Fraction sp3: | 0.29 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 80.76 |
cLogP: | 4.0 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
EDG-MED-4c68219f-16
0.828
PET-UNK-824b5c6a-2
0.826
PET-UNK-3bb57da2-3
0.826
PET-UNK-acd70dee-1
0.819
ED_-GRI-5b13fbe2-72
0.815
EDG-MED-4c68219f-10
0.815
RAL-THA-58fba2bc-4
0.815
PET-UNK-824b5c6a-1
0.813
PET-UNK-49566573-3
0.812
PET-UNK-0cc03aae-1
0.811
ED_-GRI-5b13fbe2-33
0.804
PET-UNK-e5587e5d-1
0.802
MIC-UNK-ddc6ad53-3
0.800
PET-UNK-5d7c542f-3
0.794
ED_-GRI-5b13fbe2-30
0.792
PET-UNK-4880b143-1
0.792
ED_-GRI-5b13fbe2-48
0.786
PET-UNK-0cc03aae-2
0.786
PET-UNK-0cc03aae-3
0.786
PET-UNK-5d7c542f-4
0.781
PET-UNK-0cc03aae-5
0.781
PET-UNK-49566573-2
0.778
PET-UNK-0cc03aae-4
0.770
ED_-GRI-5b13fbe2-29
0.768
ED_-GRI-5b13fbe2-59
0.768
PET-UNK-3bb57da2-4
0.768
MIC-UNK-ddc6ad53-2
0.765
PET-UNK-3bb57da2-2
0.763
PET-UNK-3bb57da2-1
0.760
EDG-MED-4c68219f-12
0.758
RAL-THA-58fba2bc-2
0.758
EDG-MED-4c68219f-6
0.758
MIC-UNK-ddc6ad53-1
0.758
ED_-GRI-5b13fbe2-68
0.753
ED_-GRI-5b13fbe2-25
0.752
PET-UNK-83d689b6-3
0.743
MIC-UNK-5d22d78d-1
0.742
ED_-GRI-5b13fbe2-70
0.737
ED_-GRI-5b13fbe2-69
0.737
ED_-GRI-5b13fbe2-71
0.737
MIC-UNK-5d22d78d-2
0.737
CHO-MSK-5891c1ff-12
0.735
EDJ-MED-28ec730d-5
0.735
PET-UNK-5d7c542f-5
0.735
ED_-GRI-5b13fbe2-41
0.735
ED_-GRI-5b13fbe2-40
0.735
ED_-GRI-5b13fbe2-15
0.733
ED_-GRI-5b13fbe2-8
0.728
CHO-MSK-5891c1ff-3
0.728
PET-UNK-83d689b6-4
0.728
PET-UNK-acd70dee-5
0.727
ED_-GRI-5b13fbe2-62
0.724
PET-UNK-acd70dee-3
0.723
ED_-GRI-5b13fbe2-19
0.721
ED_-GRI-5b13fbe2-43
0.720
MIC-UNK-5d22d78d-3
0.720
PET-UNK-d9de6a0b-1
0.720
ED_-GRI-5b13fbe2-42
0.720
ED_-GRI-5b13fbe2-34
0.720
PET-UNK-83d689b6-2
0.714
PET-UNK-83d689b6-1
0.714
ED_-GRI-5b13fbe2-47
0.713
MIC-UNK-5d22d78d-4
0.713
PET-UNK-29afea89-2
0.713
EDJ-MED-d08626de-2
0.713
EDG-MED-0e5afe9d-3
0.713
EDJ-MED-d08626de-1
0.713
EDG-MED-4c68219f-7
0.712
ED_-GRI-5b13fbe2-1
0.710
ED_-GRI-5b13fbe2-56
0.708
PET-UNK-acd70dee-4
0.706
PET-UNK-d9de6a0b-2
0.706
ED_-GRI-5b13fbe2-39
0.702
MIC-UNK-d58dbb53-1
0.702
ED_-GRI-5b13fbe2-11
0.701
PET-UNK-acd70dee-2
0.699
ED_-GRI-5b13fbe2-53
0.699
CHO-MSK-5891c1ff-10
0.699
EDG-MED-4c68219f-15
0.699
EDJ-MED-28ec730d-4
0.699
EDG-MED-4c68219f-17
0.695
ED_-GRI-5b13fbe2-13
0.695
ED_-GRI-5b13fbe2-12
0.694
CHO-MSK-5891c1ff-6
0.694
CHO-MSK-5891c1ff-8
0.692
ED_-GRI-5b13fbe2-14
0.686
PET-UNK-acd70dee-6
0.686
ED_-GRI-5b13fbe2-57
0.686
EDG-MED-4c68219f-13
0.685
ED_-GRI-5b13fbe2-50
0.682
ED_-GRI-5b13fbe2-73
0.682
EDG-MED-4c68219f-8
0.679
CHO-MSK-5891c1ff-9
0.679
ED_-GRI-5b13fbe2-36
0.678
PET-UNK-824b5c6a-3
0.677
ED_-GRI-5b13fbe2-51
0.676
EDG-MED-4c68219f-2
0.676
ED_-GRI-5b13fbe2-65
0.676
DAR-DIA-e7614d05-2
0.673
ALP-POS-93b3621f-1
0.673