Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)C1(OCC(F)(F)F)CCOc2ccc(Cl)cc21 |
MW: | 436.08 |
Fraction sp3: | 0.24 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 60.45 |
cLogP: | 5.08 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
high halogen content (>3)
MIC-UNK-ddc6ad53-3
0.844
PET-UNK-824b5c6a-1
0.818
MIC-UNK-ddc6ad53-2
0.806
RAL-THA-58fba2bc-2
0.800
EDG-MED-4c68219f-6
0.800
RAL-THA-58fba2bc-4
0.800
ED_-GRI-5b13fbe2-72
0.800
EDG-MED-4c68219f-10
0.800
EDG-MED-4c68219f-12
0.800
ED_-GRI-5b13fbe2-40
0.793
ED_-GRI-5b13fbe2-41
0.793
PET-UNK-824b5c6a-2
0.791
PET-UNK-3bb57da2-3
0.791
PET-UNK-3bb57da2-1
0.783
MIC-UNK-5d22d78d-1
0.783
ED_-GRI-5b13fbe2-42
0.777
ED_-GRI-5b13fbe2-43
0.777
EDG-MED-4c68219f-16
0.774
ED_-GRI-5b13fbe2-68
0.774
ED_-GRI-5b13fbe2-47
0.768
DAR-DIA-e7614d05-1
0.767
DAR-DIA-e7614d05-2
0.767
ALP-POS-93b3621f-1
0.767
DAR-DIA-e7614d05-3
0.767
PET-UNK-3bb57da2-2
0.766
PET-UNK-acd70dee-5
0.766
PET-UNK-acd70dee-1
0.766
PET-UNK-5d7c542f-4
0.766
PET-UNK-0cc03aae-5
0.766
PET-UNK-49566573-1
0.758
MIC-UNK-5d22d78d-3
0.758
ED_-GRI-5b13fbe2-71
0.758
PET-UNK-0cc03aae-1
0.758
ED_-GRI-5b13fbe2-30
0.758
MIC-UNK-5d22d78d-2
0.758
PET-UNK-d9de6a0b-1
0.758
ED_-GRI-5b13fbe2-70
0.758
PET-UNK-4880b143-1
0.758
ED_-GRI-5b13fbe2-69
0.758
PET-UNK-acd70dee-2
0.753
MIC-UNK-5d22d78d-4
0.750
PET-UNK-e5587e5d-1
0.750
CHO-MSK-5891c1ff-8
0.745
PET-UNK-5d7c542f-3
0.742
PET-UNK-acd70dee-3
0.742
PET-UNK-acd70dee-4
0.742
PET-UNK-d9de6a0b-2
0.742
PET-UNK-0cc03aae-4
0.737
PET-UNK-0cc03aae-3
0.735
ED_-GRI-5b13fbe2-33
0.735
EDJ-MED-28ec730d-4
0.735
ED_-GRI-5b13fbe2-53
0.735
PET-UNK-3bb57da2-4
0.735
PET-UNK-0cc03aae-2
0.735
EDG-MED-4c68219f-15
0.735
ED_-GRI-5b13fbe2-59
0.735
ED_-GRI-5b13fbe2-29
0.735
ED_-GRI-5b13fbe2-48
0.735
CHO-MSK-5891c1ff-10
0.735
EDG-MED-0e5afe9d-3
0.733
EDJ-MED-d08626de-1
0.733
EDJ-MED-d08626de-2
0.733
PET-UNK-29afea89-2
0.733
CHO-MSK-5891c1ff-9
0.730
PET-UNK-bcc8fd08-1
0.728
PET-UNK-49566573-2
0.727
PET-UNK-83d689b6-3
0.727
ED_-GRI-5b13fbe2-34
0.721
PET-UNK-10c83c8b-1
0.720
PET-UNK-acd70dee-6
0.720
MIC-UNK-d58dbb53-1
0.720
EDJ-MED-28ec730d-5
0.720
PET-UNK-5d7c542f-5
0.720
ED_-GRI-5b13fbe2-25
0.720
CHO-MSK-5891c1ff-12
0.720
ED_-GRI-5b13fbe2-14
0.720
ED_-GRI-5b13fbe2-39
0.720
ED_-GRI-5b13fbe2-57
0.720
ED_-GRI-5b13fbe2-73
0.716
PET-UNK-83d689b6-4
0.713
EDG-MED-4c68219f-8
0.713
ED_-GRI-5b13fbe2-8
0.713
ED_-GRI-5b13fbe2-13
0.713
EDG-MED-4c68219f-7
0.713
CHO-MSK-5891c1ff-3
0.713
EDG-MED-4c68219f-17
0.713
PET-UNK-824b5c6a-3
0.713
ED_-GRI-5b13fbe2-10
0.712
ED_-GRI-5b13fbe2-19
0.706
CHO-MSK-5891c1ff-2
0.706
CHO-MSK-5891c1ff-11
0.706
ED_-GRI-5b13fbe2-55
0.705
ED_-GRI-5b13fbe2-44
0.704
PET-UNK-83d689b6-1
0.699
PET-UNK-83d689b6-2
0.699
ED_-GRI-5b13fbe2-50
0.699
EDG-MED-4c68219f-11
0.699
MIC-UNK-d58dbb53-3
0.699
CHO-MSK-5891c1ff-7
0.699
ED_-GRI-5b13fbe2-20
0.692