Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)[C@]1(OCCNCCO)CCOc2ccc(Cl)cc21 |
MW: | 441.15 |
Fraction sp3: | 0.3 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 8 |
TPSA: | 92.71 |
cLogP: | 3.1 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
Long aliphatic chain
Unbranched chain
ED_-GRI-5b13fbe2-59
0.882
ED_-GRI-5b13fbe2-25
0.863
RAL-THA-58fba2bc-4
0.856
ED_-GRI-5b13fbe2-72
0.856
ED_-GRI-5b13fbe2-33
0.842
EDG-MED-4c68219f-16
0.828
EDG-MED-4c68219f-10
0.815
PET-UNK-0cc03aae-1
0.811
PET-UNK-824b5c6a-2
0.806
PET-UNK-3bb57da2-3
0.806
ED_-GRI-5b13fbe2-48
0.804
PET-UNK-0cc03aae-5
0.800
PET-UNK-824b5c6a-1
0.793
PET-UNK-49566573-1
0.792
ED_-GRI-5b13fbe2-19
0.790
PET-UNK-3bb57da2-4
0.786
PET-UNK-0cc03aae-3
0.786
PET-UNK-e5587e5d-1
0.784
PET-UNK-5d7c542f-4
0.781
MIC-UNK-ddc6ad53-3
0.781
PET-UNK-4880b143-1
0.773
PET-UNK-0cc03aae-2
0.768
MIC-UNK-ddc6ad53-2
0.765
ED_-GRI-5b13fbe2-8
0.762
PET-UNK-3bb57da2-1
0.760
RAL-THA-58fba2bc-2
0.758
MIC-UNK-ddc6ad53-1
0.758
EDG-MED-4c68219f-6
0.758
EDG-MED-4c68219f-12
0.758
PET-UNK-5d7c542f-3
0.758
ED_-GRI-5b13fbe2-68
0.753
PET-UNK-5d7c542f-5
0.752
CHO-MSK-5891c1ff-12
0.752
EDJ-MED-28ec730d-5
0.752
PET-UNK-0cc03aae-4
0.752
ED_-GRI-5b13fbe2-29
0.750
PET-UNK-3bb57da2-2
0.745
PET-UNK-acd70dee-1
0.745
ED_-GRI-5b13fbe2-1
0.743
PET-UNK-49566573-2
0.743
PET-UNK-83d689b6-3
0.743
MIC-UNK-5d22d78d-1
0.742
ED_-GRI-5b13fbe2-42
0.737
ED_-GRI-5b13fbe2-43
0.737
ED_-GRI-5b13fbe2-40
0.735
ED_-GRI-5b13fbe2-41
0.735
PET-UNK-83d689b6-4
0.728
CHO-MSK-5891c1ff-3
0.728
PET-UNK-acd70dee-5
0.727
ED_-GRI-5b13fbe2-12
0.726
PET-UNK-acd70dee-3
0.723
PET-UNK-d9de6a0b-1
0.720
ED_-GRI-5b13fbe2-70
0.720
ED_-GRI-5b13fbe2-69
0.720
ED_-GRI-5b13fbe2-71
0.720
MIC-UNK-5d22d78d-2
0.720
MIC-UNK-5d22d78d-3
0.720
CHO-MSK-5891c1ff-10
0.716
PET-UNK-83d689b6-2
0.714
PET-UNK-83d689b6-1
0.714
ED_-GRI-5b13fbe2-47
0.713
MIC-UNK-5d22d78d-4
0.713
ED_-GRI-5b13fbe2-13
0.712
ED_-GRI-5b13fbe2-56
0.708
ED_-GRI-5b13fbe2-62
0.708
PET-UNK-acd70dee-4
0.706
PET-UNK-d9de6a0b-2
0.706
ED_-GRI-5b13fbe2-15
0.701
ED_-GRI-5b13fbe2-11
0.701
ED_-GRI-5b13fbe2-53
0.699
PET-UNK-acd70dee-2
0.699
EDJ-MED-28ec730d-4
0.699
EDG-MED-4c68219f-15
0.699
EDG-MED-0e5afe9d-3
0.695
EDJ-MED-d08626de-2
0.695
PET-UNK-29afea89-2
0.695
EDJ-MED-d08626de-1
0.695
CHO-MSK-5891c1ff-6
0.694
CHO-MSK-5891c1ff-8
0.692
ED_-GRI-5b13fbe2-34
0.688
MIC-UNK-d58dbb53-1
0.686
PET-UNK-acd70dee-6
0.686
ED_-GRI-5b13fbe2-57
0.686
ED_-GRI-5b13fbe2-14
0.686
ED_-GRI-5b13fbe2-39
0.686
PET-UNK-10c83c8b-1
0.684
ED_-GRI-5b13fbe2-73
0.682
EDG-MED-4c68219f-7
0.679
EDG-MED-4c68219f-8
0.679
EDG-MED-4c68219f-17
0.679
CHO-MSK-5891c1ff-9
0.679
PET-UNK-824b5c6a-3
0.677
ED_-GRI-5b13fbe2-20
0.676
ED_-GRI-5b13fbe2-22
0.676
ED_-GRI-5b13fbe2-21
0.676
EDG-MED-4c68219f-2
0.676
CHO-MSK-5891c1ff-1
0.676
ED_-GRI-5b13fbe2-65
0.676
DAR-DIA-e7614d05-1
0.673
PET-UNK-bcc8fd08-1
0.673