Ingredient ID: NPC82483
Formula: C18H20O6
Ingredient ID: NPC475961
Formula: C18H22O4
Ingredient ID: NPC475169
Formula: C17H20O4
Ingredient ID: NPC474933
Formula: C16H18O3
Ingredient ID: NPC474651
Formula: C22H24O8
Ingredient ID: NPC474623
Formula: C22H24O8
Ingredient ID: NPC470633
Formula: C17H16O6
Ingredient ID: NPC470626
Formula: C17H20O4
Ingredient ID: NPC37502
Formula: C17H12O8
Ingredient ID: NPC262253
Formula: C18H20O5
Ingredient ID: NPC254625
Formula: C19H24O5
Ingredient ID: NPC236791
Formula: C18H22O6
Ingredient ID: NPC233526
Formula: C17H20O4
Ingredient ID: NPC231772
Formula: C16H12O5
Ingredient ID: NPC228769
Formula: C17H16O5
Ingredient ID: NPC208950
Formula: C17H20O5
Ingredient ID: NPC170844
Formula: C18H22O6
Ingredient ID: NPC136319
Formula: C16H18O4
Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
NPC136319 | C16H18O4 | Combretastatin B-4 | 274.12 | -0.8994 | 2.78 | 3.513 | 0 | 2 | 58.92 | 9 | 2 | 20 | 0 |
NPC170844 | C18H22O6 | Combretastatin | 334.14 | -1.1158 | 2.78 | 1.707 | 1 | 2 | 77.38 | 13 | 2 | 24 | 0 |
NPC208950 | C17H20O5 | Combretastatin B-3 | 304.13 | -0.9512 | 2.78 | 3.069 | 0 | 2 | 68.15 | 11 | 2 | 22 | 0 |
NPC228769 | C17H16O5 | Combretastatin A-2 | 300.1 | -0.3988 | 2.78 | 3.302 | 0 | 1 | 57.15 | 7 | 3 | 22 | 0 |
NPC231772 | C16H12O5 | Acacetin | 284.07 | -1.476 | 2.67 | 2.086 | 1 | 2 | 75.99 | 5 | 3 | 21 | 0 |
NPC233526 | C17H20O4 | 4-[2-(3,4,5-Trimethoxyphenyl)Ethyl]Phenol | 288.14 | -0.4909 | 2.89 | 3.814 | 0 | 1 | 47.92 | 10 | 2 | 21 | 0 |
NPC236791 | C18H22O6 | Combretastatin B-1 | 334.14 | -1.003 | 2.78 | 2.414 | 0 | 2 | 77.38 | 13 | 2 | 24 | 0 |
NPC254625 | C19H24O5 | 5-(3,4-Dimethoxyphenethyl)-1,2,3-Trimethoxybenzene | 332.16 | -0.1342 | 3 | 3.678 | 0 | 0 | 46.15 | 13 | 2 | 24 | 0 |
NPC262253 | C18H20O5 | Combretastatin A4 | 316.13 | -0.1997 | 2.89 | 3.375 | 0 | 1 | 57.15 | 11 | 2 | 23 | 0 |
NPC37502 | C17H12O8 | 344.0532173 | -0.7979 | 2.45 | 0.653 | 2 | 1 | 100.52 | 7 | 4 | 25 | 0 | |
NPC470626 | C17H20O4 | 5-[2-(3,4-Dimethoxyphenyl)Ethyl]-2-Methoxyphenol | 288.14 | -0.4909 | 2.89 | 3.603 | 0 | 1 | 47.92 | 10 | 2 | 21 | 0 |
NPC470633 | C17H16O6 | 316.09 | -0.8591 | 2.67 | 2.339 | 0 | 2 | 77.38 | 8 | 3 | 23 | 0 | |
NPC474623 | C22H24O8 | 416.15 | 0.0982 | 3 | 3.681 | 2 | 0 | 89.52 | 16 | 2 | 30 | 0 | |
NPC474651 | C22H24O8 | 416.15 | 0.0982 | 3 | 3.681 | 2 | 0 | 89.52 | 16 | 2 | 30 | 0 | |
NPC474933 | C16H18O3 | Dihydropterostilbene | 258.13 | -0.4391 | 2.89 | 4.258 | 0 | 1 | 38.69 | 8 | 2 | 19 | 0 |
NPC475169 | C17H20O4 | 5-[2-(3,5-Dimethoxyphenyl)Ethyl]-2-Methoxyphenol | 288.14 | -0.4909 | 2.89 | 3.603 | 0 | 1 | 47.92 | 10 | 2 | 21 | 0 |
NPC475961 | C18H22O4 | 3,3',4',5-Tetramethoxybibenzyl | 302.15 | -0.0824 | 3 | 4.122 | 0 | 0 | 36.92 | 11 | 2 | 22 | 0 |
NPC82483 | C18H20O6 | Combretastatin A-1 | 332.13 | -0.66 | 2.78 | 2.63 | 0 | 2 | 77.38 | 12 | 2 | 24 | 0 |