Small Molecules | Molecular formula | Rel. Abundance (%) | Drug Likeness Score |
---|---|---|---|
CRACE F10 | |||
1α, 25 - dihydroxy Vitamin D3 | C27H44O3 | 34.4 | 0.47 |
Indole acrylic acid | C11H9NO2 | 12.3 | −1.75 |
Promazine sulfoxide | C17H20N2OS | 9.3 | 0.98 |
Dehydroprotenone | C23H20O6 | 7.0 | −0.35 |
Grayanotoxin1 | C22H36O7 | 6.4 | −0.39 |
Ranitidine | C13H22N4O3S | 6.0 | 1.00 |
N-(4-benzenesulfonamide) arachidonoyl amine | C26H38N2O3S | 4.9 | 0.08 |
9,12-octadecadienal | C18H32O | 3.1 | −1.27 |
7-aminonitrazepam | C15H13N3O | 3.0 | 0.30 |
Griseofulvic acid | C16H15ClO6 | 2.9 | −0.06 |
N-(1R-methyl-2-hydroxy-ethyl)α, α, dimethyl arachidonoyl amine | C25H43NO2 | 2.8 | −0.48 |
Glucosamine | C6H13NO5 | 2.4 | 0.14 |
Mundoserone | C19H18O6 | 2.4 | −0.25 |
18-bromo-17E-octadecenoic acid | C18H21BrO2 | 2.1 | 0.06 |
Methotimeprazine | C19H24N2OS | 0.3 | 1.15 |
CRACE F29 | |||
1α, 25- dihydroxy Vitamin D3 | C27H44O3 | 20.7 | 0.47 |
5-β-androstan-3a-ol-17-one sulfate | C19H30O5S | 20.5 | 0.38 |
Proglumide | C18H26N2O4 | 11.9 | 0.80 |
Grayanotoxin 1 | C22H36O7 | 5.4 | −0.39 |
Promazine sulfoxide | C17H20N2OS | 4.8 | 0.98 |
Estradiol diacetate | C22H28O4 | 4.3 | 0.79 |
6,3′-dimethoxyflavone | C17H14O4 | 3.9 | 0.47 |
Ergoline-8-methanol,10-methoxy-6-methyl-(8b) | C17H22N2O2 | 3.8 | −0.28 |
N-(4-benzenesulfonamide) arachidonoyl amine | C26H38N2O3S | 3.2 | 0.08 |
Desmethyl trimipramine glucuronide | C25H32N2O6 | 2.9 | 1.07 |
12α hydroxyl-5-deoxyhdromunduserone | C19H18O6 | 2.6 | −0.25 |
Ranitidine | C13H22N4O3S | 2.5 | 1.00 |
N-(5-hydroxy-pentyl)arachidonoyl amine | C25H43NO2 | 2.3 | −0.36 |
Norethynodrel | C20 H26 O2 | 2.2 | 1.24 |
Praziquantel | C19H24N2O2 | 2.2 | 0.95 |
9,12-octadecadienal | C18H32O | 2.1 | −1.27 |
11-amino undecanoic acid | C11H23NO2 | 1.7 | 0.61 |
Amorolfine | C21H35NO | 1.6 | 0.93 |
Mebhydrolin | C19H20N2 | 1.3 | 1.29 |