TandemGen: Substructure Search Creation

TandemGen-2025 0424 BC core test 1-TandemGen

Sketch a query molecule or Search for a molecule in this project

Ketcher is a web-based chemical structure editor

Ketcher v2.18.0

SHOW RESULTS MATCHINGALLOF THE FOLLOWING CRITERIA
PRESETS
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Structure Filters
Molecular Weight (g/mol) [397 - 491.5]
Substructure
pyrimidine
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Molecules
32,686
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Molecular Weight (g/mol)
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Depiction
Molecular Weight (g/mol)
cLogP
HBA
HBD
Num. Rot. Bonds
TPSA (Å²)
Num. Atoms
SA Score
Num. Aromatic Rings
Formula
QED
321.42
3.88
4
1
4
48.29
24
2.76
2
C20H23N3O
0.93
337.43
2.97
6
1
4
74.07
25
3.02
2
C19H23N5O
0.92
337.43
2.97
6
1
4
74.07
25
3.14
2
C19H23N5O
0.92
337.43
2.66
6
1
5
74.07
25
3.07
2
C19H23N5O
0.90
337.43
2.66
6
1
5
74.07
25
3.03
2
C19H23N5O
0.90
338.42
2.06
7
1
5
86.96
25
3.15
2
C18H22N6O
0.89
339.44
2.61
6
1
5
66.11
25
3.29
2
C19H25N5O
0.91
340.43
2.00
7
1
5
79.00
25
3.23
2
C18H24N6O
0.90