Molecular Properties | |
SMILES: | CCCO[C@@]1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21 |
MW: | 396.12 |
Fraction sp3: | 0.27 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 60.45 |
cLogP: | 4.93 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
PET-UNK-3bb57da2-3
0.864
RAL-THA-58fba2bc-4
0.852
ED_-GRI-5b13fbe2-72
0.852
EDG-MED-4c68219f-10
0.852
PET-UNK-824b5c6a-1
0.851
EDG-MED-4c68219f-16
0.844
PET-UNK-e5587e5d-1
0.837
PET-UNK-49566573-1
0.826
PET-UNK-0cc03aae-1
0.826
PET-UNK-4880b143-1
0.826
PET-UNK-0cc03aae-5
0.815
MIC-UNK-ddc6ad53-3
0.815
PET-UNK-5d7c542f-4
0.815
PET-UNK-5d7c542f-3
0.809
ED_-GRI-5b13fbe2-30
0.806
PET-UNK-0cc03aae-2
0.800
PET-UNK-0cc03aae-3
0.800
ED_-GRI-5b13fbe2-33
0.800
ED_-GRI-5b13fbe2-48
0.800
ED_-GRI-5b13fbe2-29
0.800
MIC-UNK-ddc6ad53-2
0.798
PET-UNK-3bb57da2-1
0.793
EDG-MED-4c68219f-12
0.791
MIC-UNK-ddc6ad53-1
0.791
EDG-MED-4c68219f-6
0.791
RAL-THA-58fba2bc-2
0.791
ED_-GRI-5b13fbe2-69
0.787
ED_-GRI-5b13fbe2-70
0.787
ED_-GRI-5b13fbe2-71
0.787
ED_-GRI-5b13fbe2-68
0.785
PET-UNK-0cc03aae-4
0.784
PET-UNK-3bb57da2-4
0.781
ED_-GRI-5b13fbe2-59
0.781
PET-UNK-3bb57da2-2
0.777
PET-UNK-acd70dee-1
0.777
MIC-UNK-5d22d78d-1
0.774
PET-UNK-83d689b6-3
0.773
PET-UNK-49566573-2
0.773
MIC-UNK-5d22d78d-2
0.768
ED_-GRI-5b13fbe2-40
0.766
ED_-GRI-5b13fbe2-41
0.766
CHO-MSK-5891c1ff-12
0.765
EDJ-MED-28ec730d-5
0.765
ED_-GRI-5b13fbe2-25
0.765
PET-UNK-5d7c542f-5
0.765
PET-UNK-acd70dee-5
0.758
PET-UNK-83d689b6-4
0.758
ED_-GRI-5b13fbe2-8
0.758
CHO-MSK-5891c1ff-3
0.758
ED_-GRI-5b13fbe2-62
0.752
MIC-UNK-5d22d78d-3
0.750
PET-UNK-d9de6a0b-1
0.750
ED_-GRI-5b13fbe2-43
0.750
ED_-GRI-5b13fbe2-19
0.750
ED_-GRI-5b13fbe2-42
0.750
ED_-GRI-5b13fbe2-15
0.745
EDJ-MED-d08626de-2
0.744
EDG-MED-0e5afe9d-3
0.744
PET-UNK-29afea89-2
0.744
EDJ-MED-d08626de-1
0.744
PET-UNK-83d689b6-1
0.743
PET-UNK-83d689b6-2
0.743
ED_-GRI-5b13fbe2-47
0.742
MIC-UNK-5d22d78d-4
0.742
ED_-GRI-5b13fbe2-56
0.735
PET-UNK-acd70dee-3
0.735
PET-UNK-acd70dee-4
0.735
PET-UNK-d9de6a0b-2
0.735
ED_-GRI-5b13fbe2-34
0.731
ED_-GRI-5b13fbe2-11
0.728
EDJ-MED-28ec730d-4
0.727
ED_-GRI-5b13fbe2-53
0.727
EDG-MED-4c68219f-15
0.727
CHO-MSK-5891c1ff-10
0.727
PET-UNK-acd70dee-2
0.727
EDG-MED-4c68219f-7
0.723
ED_-GRI-5b13fbe2-12
0.721
ED_-GRI-5b13fbe2-1
0.721
CHO-MSK-5891c1ff-6
0.721
CHO-MSK-5891c1ff-8
0.720
PET-UNK-acd70dee-6
0.713
ED_-GRI-5b13fbe2-14
0.713
ED_-GRI-5b13fbe2-39
0.713
ED_-GRI-5b13fbe2-57
0.713
MIC-UNK-d58dbb53-1
0.713
ED_-GRI-5b13fbe2-73
0.709
ED_-GRI-5b13fbe2-13
0.706
EDG-MED-4c68219f-8
0.706
EDG-MED-4c68219f-17
0.706
CHO-MSK-5891c1ff-9
0.706
PET-UNK-bcc8fd08-1
0.702
DAR-DIA-e7614d05-2
0.702
ALP-POS-93b3621f-1
0.702
DAR-DIA-e7614d05-3
0.702
DAR-DIA-e7614d05-1
0.702
CHO-MSK-5891c1ff-1
0.702
ED_-GRI-5b13fbe2-65
0.701
CHO-MSK-5891c1ff-11
0.699
CHO-MSK-5891c1ff-2
0.699
ED_-GRI-5b13fbe2-6
0.698