Molecular Properties | |
SMILES: | CC(CO[C@@]1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21)CN1OCC(N)C1=O |
MW: | 510.17 |
Fraction sp3: | 0.35 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 116.01 |
cLogP: | 3.26 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
ED_-GRI-5b13fbe2-68
0.718
ED_-GRI-5b13fbe2-42
0.690
ED_-GRI-5b13fbe2-43
0.690
ED_-GRI-5b13fbe2-41
0.688
ED_-GRI-5b13fbe2-40
0.688
EDG-MED-4c68219f-10
0.661
PET-UNK-824b5c6a-1
0.658
ED_-GRI-5b13fbe2-47
0.655
PET-UNK-3bb57da2-1
0.649
ED_-GRI-5b13fbe2-71
0.647
ED_-GRI-5b13fbe2-70
0.647
ED_-GRI-5b13fbe2-69
0.647
EDG-MED-4c68219f-6
0.646
PET-UNK-824b5c6a-2
0.640
PET-UNK-3bb57da2-3
0.640
PET-UNK-3bb57da2-2
0.638
PET-UNK-acd70dee-1
0.638
ED_-GRI-5b13fbe2-16
0.636
ED_-GRI-5b13fbe2-17
0.636
ED_-GRI-5b13fbe2-18
0.636
MIC-UNK-5d22d78d-1
0.635
PET-UNK-49566573-1
0.632
MIC-UNK-5d22d78d-2
0.632
PET-UNK-d9de6a0b-1
0.632
RAL-THA-58fba2bc-4
0.632
MIC-UNK-ddc6ad53-1
0.632
EDG-MED-4c68219f-12
0.632
ED_-GRI-5b13fbe2-72
0.632
RAL-THA-58fba2bc-2
0.632
ED_-GRI-5b13fbe2-48
0.630
EDG-MED-4c68219f-16
0.629
ED_-GRI-5b13fbe2-4
0.629
ED_-GRI-5b13fbe2-3
0.629
ED_-GRI-5b13fbe2-5
0.629
MIC-UNK-5d22d78d-4
0.627
PET-UNK-acd70dee-5
0.624
MIC-UNK-ddc6ad53-3
0.624
PET-UNK-5d7c542f-4
0.624
PET-UNK-d9de6a0b-2
0.622
PET-UNK-5d7c542f-3
0.622
PET-UNK-4880b143-1
0.619
PET-UNK-0cc03aae-1
0.619
ED_-GRI-5b13fbe2-29
0.617
PET-UNK-0cc03aae-2
0.617
CHO-MSK-5891c1ff-3
0.615
PET-UNK-e5587e5d-1
0.613
PET-UNK-83d689b6-3
0.612
PET-UNK-49566573-2
0.612
ED_-GRI-5b13fbe2-34
0.611
ED_-GRI-5b13fbe2-6
0.611
PET-UNK-0cc03aae-5
0.610
PET-UNK-acd70dee-4
0.608
ED_-GRI-5b13fbe2-39
0.607
ED_-GRI-5b13fbe2-9
0.606
ED_-GRI-5b13fbe2-49
0.606
ED_-GRI-5b13fbe2-30
0.605
MIC-UNK-5d22d78d-3
0.605
ED_-GRI-5b13fbe2-33
0.603
PET-UNK-3bb57da2-4
0.603
CHO-MSK-5891c1ff-10
0.603
PET-UNK-0cc03aae-3
0.603
PET-UNK-83d689b6-4
0.602
CHO-MSK-5891c1ff-1
0.600
ED_-GRI-5b13fbe2-20
0.600
ED_-GRI-5b13fbe2-21
0.600
ED_-GRI-5b13fbe2-22
0.600
ED_-GRI-5b13fbe2-2
0.600
ED_-GRI-5b13fbe2-62
0.600
MIC-UNK-ddc6ad53-2
0.600
CHO-MSK-5891c1ff-8
0.598
ED_-GRI-5b13fbe2-45
0.597
CHO-MSK-5891c1ff-2
0.597
PET-UNK-acd70dee-3
0.595
EDJ-MED-28ec730d-5
0.593
MIC-UNK-d58dbb53-1
0.593
CHO-MSK-5891c1ff-12
0.593
PET-UNK-0cc03aae-4
0.593
EDJ-MED-d08626de-1
0.593
PET-UNK-29afea89-2
0.593
EDG-MED-0e5afe9d-3
0.593
EDJ-MED-d08626de-2
0.593
PET-UNK-83d689b6-1
0.592
CHO-MSK-5891c1ff-6
0.591
EDJ-MED-28ec730d-4
0.590
EDG-MED-4c68219f-15
0.590
ED_-GRI-5b13fbe2-59
0.590
PET-UNK-acd70dee-2
0.590
ED_-GRI-5b13fbe2-53
0.590
ED_-GRI-5b13fbe2-8
0.589
EDG-MED-4c68219f-7
0.589
CHO-MSK-5891c1ff-9
0.589
ED_-GRI-5b13fbe2-13
0.589
ED_-GRI-5b13fbe2-51
0.587
CHO-MSK-5891c1ff-11
0.584
ED_-GRI-5b13fbe2-11
0.583
ED_-GRI-5b13fbe2-15
0.583
ED_-GRI-5b13fbe2-36
0.582
EDG-MED-4c68219f-3
0.581
ED_-GRI-5b13fbe2-14
0.581
ED_-GRI-5b13fbe2-57
0.581