Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)[C@]1(OC(F)F)CCOc2ccc(Cl)cc21 |
MW: | 404.07 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 60.45 |
cLogP: | 4.74 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
EDJ-MED-d08626de-1
0.750
EDG-MED-0e5afe9d-3
0.750
EDJ-MED-d08626de-2
0.750
PET-UNK-29afea89-2
0.750
DAR-DIA-e7614d05-1
0.744
DAR-DIA-e7614d05-2
0.744
ALP-POS-93b3621f-1
0.744
DAR-DIA-e7614d05-3
0.744
ED_-GRI-5b13fbe2-40
0.734
ED_-GRI-5b13fbe2-41
0.734
PET-UNK-bcc8fd08-1
0.725
MIC-UNK-ddc6ad53-1
0.720
PET-UNK-824b5c6a-1
0.717
KAD-UNI-8a629cb0-9
0.713
ED_-GRI-5b13fbe2-47
0.711
PET-UNK-824b5c6a-3
0.710
RAL-THA-58fba2bc-2
0.702
EDG-MED-4c68219f-6
0.702
EDG-MED-4c68219f-12
0.702
ED_-GRI-5b13fbe2-72
0.702
RAL-THA-58fba2bc-4
0.702
EDG-MED-4c68219f-10
0.702
ED_-GRI-5b13fbe2-42
0.701
ED_-GRI-5b13fbe2-43
0.701
ED_-GRI-5b13fbe2-68
0.698
PET-UNK-3bb57da2-3
0.695
PET-UNK-824b5c6a-2
0.695
MIC-UNK-ddc6ad53-3
0.691
PET-UNK-3bb57da2-1
0.688
MIC-UNK-5d22d78d-1
0.688
ED_-GRI-5b13fbe2-30
0.684
EDG-MED-4c68219f-16
0.680
MAR-UCB-6ab2ec87-3
0.678
MIC-UNK-ddc6ad53-2
0.677
CHO-MSK-5891c1ff-9
0.676
PET-UNK-acd70dee-1
0.673
PET-UNK-3bb57da2-2
0.673
PET-UNK-acd70dee-5
0.673
PET-UNK-5d7c542f-4
0.673
PET-UNK-0cc03aae-5
0.673
EDJ-MED-28ec730d-3
0.673
KAD-UNI-8a629cb0-20
0.673
PET-UNK-d9de6a0b-1
0.667
PET-UNK-4880b143-1
0.667
PET-UNK-49566573-1
0.667
MIC-UNK-5d22d78d-2
0.667
MIC-UNK-5d22d78d-3
0.667
PET-UNK-0cc03aae-1
0.667
ED_-GRI-5b13fbe2-69
0.667
ED_-GRI-5b13fbe2-70
0.667
ED_-GRI-5b13fbe2-71
0.667
PET-UNK-3bb57da2-4
0.663
ED_-GRI-5b13fbe2-48
0.663
PET-UNK-0cc03aae-3
0.663
MIC-UNK-5d22d78d-4
0.660
PET-UNK-e5587e5d-1
0.660
PET-UNK-49566573-2
0.657
CHO-MSK-5891c1ff-8
0.657
EDG-MED-90036822-63
0.656
PET-UNK-5d7c542f-3
0.653
PET-UNK-acd70dee-3
0.653
PET-UNK-acd70dee-4
0.653
PET-UNK-d9de6a0b-2
0.653
PET-UNK-0cc03aae-4
0.650
ED_-GRI-5b13fbe2-33
0.647
ED_-GRI-5b13fbe2-29
0.647
PET-UNK-acd70dee-2
0.647
EDG-MED-4c68219f-15
0.647
ED_-GRI-5b13fbe2-59
0.647
PET-UNK-0cc03aae-2
0.647
CHO-MSK-5891c1ff-10
0.647
ED_-GRI-5b13fbe2-53
0.647
EDJ-MED-28ec730d-4
0.647
EDG-MED-90036822-86
0.645
EDG-MED-4c68219f-17
0.644
MIC-UNK-d58dbb53-2
0.641
PET-UNK-83d689b6-3
0.641
EDG-MED-90036822-33
0.640
KAD-UNI-8a629cb0-30
0.637
EDG-MED-90036822-13
0.635
PET-UNK-5d7c542f-5
0.635
ED_-GRI-5b13fbe2-14
0.635
ED_-GRI-5b13fbe2-39
0.635
ED_-GRI-5b13fbe2-25
0.635
CHO-MSK-5891c1ff-12
0.635
MIC-UNK-d58dbb53-1
0.635
PET-UNK-acd70dee-6
0.635
EDJ-MED-28ec730d-5
0.635
ED_-GRI-5b13fbe2-57
0.635
EDG-MED-4c68219f-14
0.635
MAT-POS-2905de8c-2
0.634
PET-UNK-407a74a5-5
0.634
EDG-MED-90036822-37
0.634
EDJ-MED-e4b030d8-13
0.630
EDG-MED-971238d3-1
0.630
MAT-POS-2905de8c-3
0.630
MAT-POS-9db1e783-1
0.630
BEN-DND-a7517465-4
0.630
MAT-POS-8e4737f4-1
0.630
DAR-DIA-6a508060-10
0.630