Molecular Properties | |
SMILES: | CO[C@@]1(/C(=N\CC(F)(F)F)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21 |
MW: | 449.11 |
Fraction sp3: | 0.27 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 55.74 |
cLogP: | 5.59 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
imine
imine
Filter39_imine
acyclic imines
high halogen content (>3)
PET-UNK-29afea89-2
JOH-UNI-6e27fddc-3
0.806
JOH-UNI-6e27fddc-5
0.683
PET-UNK-29afea89-2
0.674
EDJ-MED-d08626de-2
0.674
EDG-MED-0e5afe9d-3
0.674
EDJ-MED-d08626de-1
0.674
MIC-UNK-ddc6ad53-1
0.650
DAR-DIA-e7614d05-1
0.636
ALP-POS-93b3621f-1
0.636
DAR-DIA-e7614d05-2
0.636
DAR-DIA-e7614d05-3
0.636
MIC-UNK-ddc6ad53-3
0.625
PET-UNK-824b5c6a-1
0.614
PET-UNK-3bb57da2-3
0.612
PET-UNK-bcc8fd08-1
0.604
MIC-UNK-ddc6ad53-2
0.598
PET-UNK-10c83c8b-1
0.598
PET-UNK-824b5c6a-2
0.596
PET-UNK-acd70dee-1
0.594
PET-UNK-824b5c6a-3
0.592
MAR-UCB-6ab2ec87-3
0.592
PET-UNK-3bb57da2-1
0.590
JOH-UNI-6e27fddc-8
0.590
PET-UNK-49566573-1
0.589
RAL-THA-58fba2bc-4
0.587
EDG-MED-4c68219f-10
0.587
EDG-MED-4c68219f-6
0.587
EDG-MED-4c68219f-12
0.587
RAL-THA-58fba2bc-2
0.587
ED_-GRI-5b13fbe2-72
0.587
EDG-MED-4c68219f-16
0.585
ED_-GRI-5b13fbe2-40
0.585
ED_-GRI-5b13fbe2-41
0.585
ED_-GRI-5b13fbe2-68
0.585
PET-UNK-3bb57da2-2
0.579
MIC-UNK-5d22d78d-1
0.575
PET-UNK-0cc03aae-1
0.574
ED_-GRI-5b13fbe2-43
0.574
ED_-GRI-5b13fbe2-42
0.574
PET-UNK-4880b143-1
0.574
MIC-UNK-5d22d78d-2
0.574
PET-UNK-acd70dee-2
0.573
ED_-GRI-5b13fbe2-34
0.569
ED_-GRI-5b13fbe2-47
0.569
PET-UNK-e5587e5d-1
0.569
PET-UNK-5d7c542f-4
0.565
PET-UNK-0cc03aae-5
0.565
EDJ-MED-28ec730d-3
0.565
PET-UNK-acd70dee-5
0.565
PET-UNK-5d7c542f-3
0.564
PET-UNK-acd70dee-3
0.564
PET-UNK-0cc03aae-4
0.562
ED_-GRI-5b13fbe2-71
0.560
ED_-GRI-5b13fbe2-30
0.560
ED_-GRI-5b13fbe2-70
0.560
MIC-UNK-5d22d78d-3
0.560
PET-UNK-d9de6a0b-1
0.560
ED_-GRI-5b13fbe2-69
0.560
PET-UNK-0cc03aae-3
0.559
EDG-MED-4c68219f-15
0.559
ED_-GRI-5b13fbe2-29
0.559
ED_-GRI-5b13fbe2-33
0.559
ED_-GRI-5b13fbe2-48
0.559
PET-UNK-0cc03aae-2
0.559
MIC-UNK-5d22d78d-4
0.555
EDG-MED-971238d3-11
0.554
EDJ-MED-28ec730d-2
0.551
EDJ-MED-e4b030d8-13
0.550
MAT-POS-2905de8c-3
0.550
MAT-POS-8e4737f4-1
0.550
DAR-DIA-6a508060-10
0.550
BEN-DND-a7517465-4
0.550
EDG-MED-90036822-87
0.550
PET-UNK-acd70dee-4
0.550
PET-UNK-d9de6a0b-2
0.550
JOH-UNI-6e27fddc-4
0.549
EDG-MED-4c68219f-14
0.549
ED_-GRI-5b13fbe2-50
0.548
RAL-THA-e002e396-11
0.547
JOH-UNI-6e27fddc-6
0.545
ED_-GRI-5b13fbe2-53
0.545
EDJ-MED-28ec730d-4
0.545
CHO-MSK-5891c1ff-10
0.545
ED_-GRI-5b13fbe2-59
0.545
PET-UNK-3bb57da2-4
0.545
EDG-MED-4c68219f-7
0.544
CHO-MSK-5891c1ff-9
0.544
EDG-MED-4c68219f-17
0.544
PET-UNK-49566573-2
0.540
CHO-MSK-5891c1ff-8
0.540
MIC-UNK-d58dbb53-2
0.540
PET-UNK-83d689b6-3
0.540
PET-UNK-407a74a5-5
0.539
MAT-POS-2905de8c-2
0.539
CHO-MSK-5891c1ff-2
0.539
EDG-MED-90036822-110
0.539
EDJ-MED-611d11e7-4
0.538
MAT-POS-a5ef2d74-2
0.538
MAT-POS-ec6d90b7-4
0.538
MAT-POS-45b13633-3
0.538