Molecular Properties | |
SMILES: | NCc1nnn(CCCO[C@@]2(C(=O)Nc3cncc4ccccc34)CCOc3ccc(Cl)cc32)c1C(F)F |
MW: | 542.16 |
Fraction sp3: | 0.31 |
HBA: | 8 |
HBD: | 2 |
Rotatable Bonds: | 9 |
TPSA: | 117.18 |
cLogP: | 4.6 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
Long aliphatic chain
ED_-GRI-5b13fbe2-28
0.884
ED_-GRI-5b13fbe2-63
0.765
EDG-MED-4c68219f-10
0.694
ED_-GRI-5b13fbe2-40
0.675
ED_-GRI-5b13fbe2-41
0.675
ED_-GRI-5b13fbe2-44
0.667
ED_-GRI-5b13fbe2-43
0.664
ED_-GRI-5b13fbe2-42
0.664
ED_-GRI-5b13fbe2-72
0.664
EDG-MED-4c68219f-6
0.664
RAL-THA-58fba2bc-4
0.664
PET-UNK-3bb57da2-3
0.658
PET-UNK-824b5c6a-2
0.658
MIC-UNK-ddc6ad53-3
0.655
PET-UNK-5d7c542f-4
0.655
PET-UNK-83d689b6-1
0.648
ED_-GRI-5b13fbe2-29
0.647
ED_-GRI-5b13fbe2-68
0.647
EDG-MED-4c68219f-16
0.647
PET-UNK-824b5c6a-1
0.646
CHO-MSK-5891c1ff-3
0.645
ED_-GRI-5b13fbe2-8
0.645
MIC-UNK-ddc6ad53-2
0.644
ED_-GRI-5b13fbe2-47
0.644
PET-UNK-49566573-2
0.642
PET-UNK-83d689b6-3
0.642
PET-UNK-0cc03aae-5
0.641
ED_-GRI-5b13fbe2-11
0.637
PET-UNK-0cc03aae-1
0.636
ED_-GRI-5b13fbe2-30
0.636
PET-UNK-49566573-1
0.636
PET-UNK-4880b143-1
0.636
MIC-UNK-ddc6ad53-1
0.635
RAL-THA-58fba2bc-2
0.635
EDG-MED-4c68219f-12
0.635
ED_-GRI-5b13fbe2-59
0.633
ED_-GRI-5b13fbe2-48
0.633
ED_-GRI-5b13fbe2-38
0.632
PET-UNK-e5587e5d-1
0.630
PET-UNK-5d7c542f-3
0.625
ED_-GRI-5b13fbe2-70
0.622
ED_-GRI-5b13fbe2-69
0.622
ED_-GRI-5b13fbe2-71
0.622
PET-UNK-83d689b6-2
0.621
PET-UNK-0cc03aae-2
0.620
PET-UNK-3bb57da2-4
0.620
PET-UNK-0cc03aae-3
0.620
ED_-GRI-5b13fbe2-33
0.620
CHO-MSK-5891c1ff-6
0.619
CHO-MSK-5891c1ff-9
0.618
PET-UNK-83d689b6-4
0.618
ED_-GRI-5b13fbe2-34
0.614
PET-UNK-acd70dee-1
0.613
PET-UNK-acd70dee-5
0.613
ED_-GRI-5b13fbe2-15
0.611
PET-UNK-3bb57da2-1
0.610
MIC-UNK-5d22d78d-1
0.610
PET-UNK-5d7c542f-5
0.610
CHO-MSK-5891c1ff-12
0.610
EDJ-MED-28ec730d-5
0.610
PET-UNK-0cc03aae-4
0.610
ED_-GRI-5b13fbe2-25
0.610
EDG-MED-4c68219f-15
0.607
CHO-MSK-5891c1ff-10
0.607
ED_-GRI-5b13fbe2-10
0.606
PET-UNK-10c83c8b-1
0.603
ED_-GRI-5b13fbe2-56
0.603
ED_-GRI-5b13fbe2-23
0.600
PET-UNK-3bb57da2-2
0.600
ED_-GRI-5b13fbe2-19
0.600
ED_-GRI-5b13fbe2-46
0.598
PET-UNK-acd70dee-4
0.598
ED_-GRI-5b13fbe2-36
0.597
ED_-GRI-5b13fbe2-9
0.597
PET-UNK-d9de6a0b-1
0.595
MIC-UNK-5d22d78d-2
0.595
MIC-UNK-5d22d78d-3
0.595
ED_-GRI-5b13fbe2-65
0.592
ED_-GRI-5b13fbe2-62
0.591
MIC-UNK-5d22d78d-4
0.590
CHO-MSK-5891c1ff-8
0.589
ED_-GRI-5b13fbe2-45
0.588
ED_-GRI-5b13fbe2-31
0.588
EDG-MED-4c68219f-13
0.586
PET-UNK-d9de6a0b-2
0.585
PET-UNK-acd70dee-3
0.585
ED_-GRI-5b13fbe2-49
0.585
PET-UNK-acd70dee-6
0.584
ED_-GRI-5b13fbe2-14
0.584
ED_-GRI-5b13fbe2-32
0.583
ED_-GRI-5b13fbe2-26
0.583
ED_-GRI-5b13fbe2-73
0.583
EDG-MED-4c68219f-11
0.583
ED_-GRI-5b13fbe2-27
0.582
ED_-GRI-5b13fbe2-4
0.581
ED_-GRI-5b13fbe2-1
0.581
ED_-GRI-5b13fbe2-3
0.581
ED_-GRI-5b13fbe2-5
0.581
ED_-GRI-5b13fbe2-12
0.581
EDG-MED-4c68219f-18
0.581