Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)[C@]1(OCCO)CCOc2ccc(Cl)cc21 |
MW: | 398.1 |
Fraction sp3: | 0.24 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 80.68 |
cLogP: | 3.51 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2020-12-01 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
Long aliphatic chain
PET-UNK-3bb57da2-2
PET-UNK-3bb57da2-1
PET-UNK-3bb57da2-3
PET-UNK-3bb57da2-4
PET-UNK-e5587e5d-1
PET-UNK-0cc03aae-4
PET-UNK-0cc03aae-2
PET-UNK-0cc03aae-1
PET-UNK-0cc03aae-5
PET-UNK-0cc03aae-3
PET-UNK-ad758083-5
PET-UNK-ad758083-2
PET-UNK-ad758083-1
PET-UNK-ad758083-4
PET-UNK-ad758083-3
PET-UNK-0d6841fa-7
PET-UNK-0d6841fa-6
PET-UNK-0d6841fa-4
PET-UNK-0d6841fa-3
PET-UNK-0d6841fa-2
PET-UNK-0d6841fa-1
PET-UNK-0d6841fa-5
RAL-THA-58fba2bc-4
1.000
EDG-MED-4c68219f-10
0.862
ED_-GRI-5b13fbe2-30
0.856
PET-UNK-3bb57da2-3
0.852
PET-UNK-824b5c6a-2
0.852
PET-UNK-0cc03aae-5
0.844
EDG-MED-4c68219f-16
0.833
ED_-GRI-5b13fbe2-25
0.830
ED_-GRI-5b13fbe2-59
0.828
PET-UNK-5d7c542f-4
0.824
MIC-UNK-ddc6ad53-3
0.824
PET-UNK-824b5c6a-1
0.818
PET-UNK-4880b143-1
0.815
PET-UNK-49566573-1
0.815
PET-UNK-0cc03aae-1
0.815
ED_-GRI-5b13fbe2-19
0.812
MIC-UNK-ddc6ad53-2
0.806
PET-UNK-e5587e5d-1
0.806
MIC-UNK-ddc6ad53-1
0.800
EDG-MED-4c68219f-6
0.800
EDG-MED-4c68219f-12
0.800
RAL-THA-58fba2bc-2
0.800
PET-UNK-5d7c542f-3
0.798
PET-UNK-5d7c542f-5
0.792
ED_-GRI-5b13fbe2-29
0.789
ED_-GRI-5b13fbe2-33
0.789
ED_-GRI-5b13fbe2-48
0.789
PET-UNK-3bb57da2-4
0.789
PET-UNK-0cc03aae-2
0.789
PET-UNK-0cc03aae-3
0.789
PET-UNK-3bb57da2-1
0.783
MIC-UNK-5d22d78d-1
0.783
PET-UNK-83d689b6-3
0.781
PET-UNK-49566573-2
0.781
ED_-GRI-5b13fbe2-12
0.780
ED_-GRI-5b13fbe2-40
0.774
ED_-GRI-5b13fbe2-41
0.774
ED_-GRI-5b13fbe2-68
0.774
CHO-MSK-5891c1ff-12
0.773
PET-UNK-0cc03aae-4
0.773
EDJ-MED-28ec730d-5
0.773
PET-UNK-3bb57da2-2
0.766
PET-UNK-acd70dee-5
0.766
PET-UNK-acd70dee-1
0.766
CHO-MSK-5891c1ff-3
0.765
PET-UNK-83d689b6-4
0.765
ED_-GRI-5b13fbe2-8
0.765
ED_-GRI-5b13fbe2-42
0.758
ED_-GRI-5b13fbe2-69
0.758
ED_-GRI-5b13fbe2-71
0.758
ED_-GRI-5b13fbe2-70
0.758
ED_-GRI-5b13fbe2-43
0.758
MIC-UNK-5d22d78d-3
0.758
PET-UNK-d9de6a0b-1
0.758
MIC-UNK-5d22d78d-2
0.758
CHO-MSK-5891c1ff-10
0.753
ED_-GRI-5b13fbe2-47
0.750
PET-UNK-83d689b6-1
0.750
PET-UNK-83d689b6-2
0.750
MIC-UNK-5d22d78d-4
0.750
ED_-GRI-5b13fbe2-56
0.743
ED_-GRI-5b13fbe2-62
0.743
PET-UNK-acd70dee-4
0.742
PET-UNK-acd70dee-3
0.742
PET-UNK-d9de6a0b-2
0.742
ED_-GRI-5b13fbe2-39
0.737
ED_-GRI-5b13fbe2-11
0.735
ED_-GRI-5b13fbe2-15
0.735
EDJ-MED-28ec730d-4
0.735
ED_-GRI-5b13fbe2-53
0.735
PET-UNK-acd70dee-2
0.735
EDG-MED-4c68219f-15
0.735
PET-UNK-29afea89-2
0.733
EDJ-MED-d08626de-2
0.733
EDG-MED-0e5afe9d-3
0.733
EDJ-MED-d08626de-1
0.733
ED_-GRI-5b13fbe2-13
0.730
PET-UNK-bcc8fd08-1
0.728
ED_-GRI-5b13fbe2-1
0.728
CHO-MSK-5891c1ff-6
0.728
CHO-MSK-5891c1ff-8
0.727
ED_-GRI-5b13fbe2-34
0.721
PET-UNK-acd70dee-6
0.720
MIC-UNK-d58dbb53-1
0.720
ED_-GRI-5b13fbe2-14
0.720
ED_-GRI-5b13fbe2-57
0.720
ED_-GRI-5b13fbe2-73
0.716
EDG-MED-4c68219f-11
0.716
EDG-MED-4c68219f-7
0.713
EDG-MED-4c68219f-8
0.713
EDG-MED-4c68219f-17
0.713
CHO-MSK-5891c1ff-9
0.713
DAR-DIA-e7614d05-1
0.710
DAR-DIA-e7614d05-2
0.710
ALP-POS-93b3621f-1
0.710
DAR-DIA-e7614d05-3
0.710
ED_-GRI-5b13fbe2-20
0.709
ED_-GRI-5b13fbe2-21
0.709
ED_-GRI-5b13fbe2-22
0.709
CHO-MSK-5891c1ff-1
0.709