Ingredient ID: NPC62640
Formula: C19H12O6
Ingredient ID: NPC476342
Formula: C24H28O6
Ingredient ID: NPC45404
Formula: C8H6O4
Ingredient ID: NPC41719
Formula: C18H12O4
Ingredient ID: NPC38914
Formula: C17H10O5
Ingredient ID: NPC302741
Formula: C22H18O6
Ingredient ID: NPC299923
Formula: C19H18O6
Ingredient ID: NPC29353
Formula: C17H14O5
Ingredient ID: NPC269906
Formula: C17H12O6
Ingredient ID: NPC263676
Formula: C18H14O4
Ingredient ID: NPC241820
Formula: C17H10O6
Ingredient ID: NPC167479
Formula: C18H10O5
Ingredient ID: NPC157522
Formula: C19H14O6
Ingredient ID: NPC148423
Formula: C18H12O4
Ingredient ID: NPC127447
Formula: C16H12O4
Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
NPC127447 | C16H12O4 | Techtochrysin | 268.07 | -1.0157 | 2.78 | 3.682 | 1 | 1 | 55.76 | 4 | 3 | 20 | 0 |
NPC148423 | C18H12O4 | 292.0735589 | -0.7095 | 3 | 4.284 | 1 | 0 | 48.67 | 3 | 4 | 22 | 0 | |
NPC157522 | C19H14O6 | 338.0790382 | -0.9744 | 2.89 | 2.833 | 2 | 1 | 78.13 | 6 | 4 | 25 | 0 | |
NPC167479 | C18H10O5 | Pongaglabrone | 306.05 | -0.9604 | 2.89 | 3.134 | 1 | 0 | 57.9 | 1 | 5 | 23 | 0 |
NPC241820 | C17H10O6 | 310.047738 | -2.0347 | 2.67 | 2.946 | 2 | 3 | 100.13 | 4 | 4 | 23 | 0 | |
NPC263676 | C18H14O4 | Pongamol | 294.09 | -0.6717 | 3 | 4.427 | 2 | 1 | 59.67 | 6 | 3 | 22 | 0 |
NPC269906 | C17H12O6 | 312.0633881 | -1.6585 | 2.67 | 2.772 | 2 | 1 | 74.22 | 4 | 4 | 23 | 0 | |
NPC29353 | C17H14O5 | 298.0841235 | -1.0675 | 2.78 | 2.605 | 1 | 1 | 64.99 | 6 | 3 | 22 | 0 | |
NPC299923 | C19H18O6 | Fisetin Tetramethyl Ether | 342.11 | -1.0509 | 2.89 | 3.364 | 2 | 0 | 63.22 | 9 | 3 | 25 | 0 |
NPC302741 | C22H18O6 | 378.1103383 | -0.2904 | 3.22 | 4.172 | 2 | 0 | 63.22 | 5 | 5 | 28 | 0 | |
NPC38914 | C17H10O5 | 294.0528234 | -1.5783 | 2.78 | 2.598 | 1 | 2 | 79.9 | 3 | 4 | 22 | 0 | |
NPC41719 | C18H12O4 | Karanjin | 292.07 | -1.0496 | 3 | 4.968 | 2 | 0 | 48.67 | 3 | 4 | 22 | 0 |
NPC45404 | C8H6O4 | Piperonylic Acid | 166.03 | -0.5425 | 1.9 | 1.072 | 2 | 1 | 55.76 | 2 | 2 | 12 | 0 |
NPC476342 | C24H28O6 | 412.19 | 1.2367 | 3.44 | 3.48 | 1 | 0 | 63.22 | 13 | 3 | 30 | 0 | |
NPC62640 | C19H12O6 | 336.0633881 | -1.3523 | 2.89 | 3.374 | 2 | 0 | 67.13 | 3 | 5 | 25 | 0 |