Ingredient ID: NPC42330
Formula: C15H26O
Ingredient ID: NPC303967
Formula: C16H14O3
Ingredient ID: NPC292882
Formula: C16H16O3
Ingredient ID: NPC290153
Formula: C14H14O2
Ingredient ID: NPC207873
Formula: C17H13NO3
Ingredient ID: NPC199209
Formula: C13H12O4
Ingredient ID: NPC19174
Formula: C15H12O4
Ingredient ID: NPC188527
Formula: C17H16O6
Ingredient ID: NPC185165
Formula: C17H20O4
Ingredient ID: NPC139364
Formula: C16H12O5
Ingredient ID: NPC138569
Formula: C19H24O3
Ingredient ID: NPC135113
Formula: C17H18O7
Ingredient ID: NPC130370
Formula: C16H12O6
Ingredient ID: NPC127555
Formula: C20H20O4
Ingredient ID: NPC110958
Formula: C20H18O6
Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
NPC110958 | C20H18O6 | (-)-Hinokinin | 354.11 | -0.4933 | 3 | 3.307 | 2 | 0 | 63.22 | 4 | 5 | 26 | 0 |
NPC127555 | C20H20O4 | 2-methoxy-4-[7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol | 324.1361591 | 0.8313 | 3.22 | 4.461 | 0 | 1 | 51.83 | 4 | 3 | 24 | 0 |
NPC130370 | C16H12O6 | 300.0633881 | -1.2516 | 2.56 | 1.456 | 6 | 3 | 96.22 | 2 | 3 | 22 | 0 | |
NPC135113 | C17H18O7 | 334.1052529 | -0.0712 | 2.56 | 3.625 | 7 | 1 | 99.13 | 7 | 2 | 24 | 0 | |
NPC138569 | C19H24O3 | 300.1725446 | 1.2132 | 3.22 | 5.44 | 3 | 1 | 46.53 | 4 | 3 | 22 | 1 | |
NPC139364 | C16H12O5 | 3'-Methoxydaidzein | 284.07 | -1.6391 | 2.67 | 2.031 | 1 | 2 | 75.99 | 5 | 3 | 21 | 0 |
NPC185165 | C17H20O4 | 288.1361591 | -1.1874 | 2.89 | 3.653 | 4 | 2 | 58.92 | 6 | 2 | 21 | 0 | |
NPC188527 | C17H16O6 | 316.0946882 | -1.5752 | 2.67 | 0.805 | 6 | 2 | 85.22 | 3 | 3 | 23 | 0 | |
NPC19174 | C15H12O4 | Isoliquiritigenin | 256.07 | -1.2836 | 2.67 | 2.764 | 1 | 3 | 77.76 | 6 | 2 | 19 | 0 |
NPC199209 | C13H12O4 | Methyl Piperate | 232.07 | 0.5374 | 2.45 | 2.692 | 2 | 0 | 44.76 | 5 | 2 | 17 | 0 |
NPC207873 | C17H13NO3 | N-Methyl Piperolactam A | 279.09 | -1.0446 | 2.89 | 3.002 | 2 | 1 | 49.77 | 4 | 4 | 21 | 0 |
NPC290153 | C14H14O2 | 214.0993797 | 1.3079 | 2.78 | 5.613 | 2 | 0 | 26.3 | 5 | 1 | 16 | 1 | |
NPC292882 | C16H16O3 | Obtusafuran | 256.11 | -0.5832 | 2.89 | 4.024 | 0 | 1 | 38.69 | 5 | 3 | 19 | 0 |
NPC303967 | C16H14O3 | (R)-4' '-Methoxydalbergione | 254.09 | 0.2064 | 2.89 | 4.381 | 3 | 0 | 43.37 | 5 | 2 | 19 | 0 |
NPC42330 | C15H26O | 222.1983655 | 2.2108 | 3 | 4.711 | 1 | 1 | 20.23 | 3 | 1 | 16 | 0 |