Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)[C@]1(OC2CC2)CCOc2ccc(Cl)cc21 |
MW: | 394.11 |
Fraction sp3: | 0.27 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 60.45 |
cLogP: | 4.68 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
EDJ-MED-28ec730d-3
0.897
MIC-UNK-d58dbb53-2
0.809
EDG-MED-4c68219f-14
0.800
EDJ-MED-d08626de-1
0.761
EDG-MED-0e5afe9d-3
0.761
EDJ-MED-d08626de-2
0.761
PET-UNK-29afea89-2
0.761
PET-UNK-824b5c6a-1
0.728
DAR-DIA-e7614d05-2
0.717
ALP-POS-93b3621f-1
0.717
DAR-DIA-e7614d05-3
0.717
DAR-DIA-e7614d05-1
0.717
PET-UNK-bcc8fd08-1
0.717
MIC-UNK-5d22d78d-1
0.716
MIC-UNK-ddc6ad53-1
0.713
PET-UNK-10c83c8b-1
0.710
PET-UNK-3bb57da2-4
0.707
EDG-MED-4c68219f-12
0.695
RAL-THA-58fba2bc-2
0.695
RAL-THA-58fba2bc-4
0.695
ED_-GRI-5b13fbe2-72
0.695
EDG-MED-4c68219f-6
0.695
EDG-MED-4c68219f-10
0.695
EDG-MED-4c68219f-16
0.691
PET-UNK-824b5c6a-2
0.688
PET-UNK-3bb57da2-3
0.688
MIC-UNK-5d22d78d-4
0.687
MIC-UNK-ddc6ad53-3
0.684
PET-UNK-acd70dee-1
0.684
PET-UNK-3bb57da2-1
0.680
ED_-GRI-5b13fbe2-70
0.677
PET-UNK-d9de6a0b-1
0.677
ED_-GRI-5b13fbe2-30
0.677
ED_-GRI-5b13fbe2-69
0.677
ED_-GRI-5b13fbe2-71
0.677
PET-UNK-49566573-1
0.677
PET-UNK-0cc03aae-1
0.677
ED_-GRI-5b13fbe2-40
0.673
ED_-GRI-5b13fbe2-41
0.673
ED_-GRI-5b13fbe2-68
0.673
PET-UNK-e5587e5d-1
0.670
PET-UNK-3bb57da2-2
0.667
PET-UNK-5d7c542f-4
0.667
PET-UNK-acd70dee-5
0.667
PET-UNK-0cc03aae-5
0.667
CHO-MSK-5891c1ff-8
0.667
PET-UNK-acd70dee-3
0.663
PET-UNK-d9de6a0b-2
0.663
ED_-GRI-5b13fbe2-25
0.660
MIC-UNK-d58dbb53-1
0.660
ED_-GRI-5b13fbe2-39
0.660
ED_-GRI-5b13fbe2-43
0.660
ED_-GRI-5b13fbe2-42
0.660
MIC-UNK-5d22d78d-2
0.660
MIC-UNK-5d22d78d-3
0.660
PET-UNK-4880b143-1
0.660
ED_-GRI-5b13fbe2-59
0.657
ED_-GRI-5b13fbe2-29
0.657
ED_-GRI-5b13fbe2-33
0.657
ED_-GRI-5b13fbe2-48
0.657
PET-UNK-acd70dee-2
0.657
PET-UNK-0cc03aae-3
0.657
ED_-GRI-5b13fbe2-13
0.654
ED_-GRI-5b13fbe2-47
0.653
MIC-UNK-ddc6ad53-2
0.653
MAR-UCB-6ab2ec87-3
0.652
ED_-GRI-5b13fbe2-62
0.651
PET-UNK-49566573-2
0.650
PET-UNK-5d7c542f-3
0.647
PET-UNK-acd70dee-4
0.647
PET-UNK-0cc03aae-4
0.644
MIC-UNK-d58dbb53-3
0.642
BEN-DND-a7517465-4
0.641
EDJ-MED-e4b030d8-13
0.641
MAT-POS-8e4737f4-1
0.641
DAR-DIA-6a508060-10
0.641
EDG-MED-4c68219f-15
0.641
ED_-GRI-5b13fbe2-53
0.641
CHO-MSK-5891c1ff-10
0.641
PET-UNK-0cc03aae-2
0.641
EDJ-MED-28ec730d-4
0.641
ED_-GRI-5b13fbe2-8
0.638
EDG-MED-4c68219f-17
0.638
ED_-GRI-5b13fbe2-51
0.636
CHO-MSK-5891c1ff-1
0.636
PET-UNK-83d689b6-3
0.635
CHO-MSK-5891c1ff-2
0.632
ED_-GRI-5b13fbe2-19
0.632
CHO-MSK-5891c1ff-5
0.630
PET-UNK-5d7c542f-5
0.629
ED_-GRI-5b13fbe2-57
0.629
PET-UNK-acd70dee-6
0.629
ED_-GRI-5b13fbe2-14
0.629
CHO-MSK-5891c1ff-12
0.629
EDJ-MED-28ec730d-5
0.629
ED_-GRI-5b13fbe2-50
0.626
ED_-GRI-5b13fbe2-73
0.626
EDG-MED-4c68219f-18
0.624
MAT-POS-2905de8c-3
0.624
MAT-POS-9db1e783-1
0.624