Ingredient ID: NPC99441
Formula: C10H10O5
Ingredient ID: NPC66404
Formula: C21H24O7
Ingredient ID: NPC295295
Formula: C7H8O2
Ingredient ID: NPC262671
Formula: C8H8O4
Ingredient ID: NPC189823
Formula: C9H10O4
Ingredient ID: NPC164697
Formula: C18H16O7
Ingredient ID: NPC149618
Formula: C19H18O8
Ingredient ID: NPC105648
Formula: C16H14O7
Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
NPC105648 | C16H14O7 | Lecanoric Acid | 318.07 | -0.4278 | 2.45 | 3.092 | 3 | 4 | 124.29 | 10 | 2 | 23 | 0 |
NPC149618 | C19H18O8 | Atranorin | 374.1 | 0.2728 | 2.67 | 4.034 | 4 | 3 | 130.36 | 13 | 2 | 27 | 0 |
NPC164697 | C18H16O7 | (-)-Usnic Acid | 344.09 | -1.202 | 2.67 | 0.819 | 4 | 3 | 121.13 | 9 | 3 | 25 | 0 |
NPC189823 | C9H10O4 | Methyl Orsellinate | 182.06 | -0.2674 | 2.01 | 1.734 | 2 | 2 | 66.76 | 6 | 1 | 13 | 0 |
NPC262671 | C8H8O4 | Orsellinic Acid | 168.04 | -0.5184 | 1.9 | 1.413 | 2 | 3 | 77.76 | 5 | 1 | 12 | 0 |
NPC295295 | C7H8O2 | Orcinol | 124.05 | -0.2786 | 2.01 | 1.193 | 0 | 2 | 40.46 | 3 | 1 | 9 | 0 |
NPC66404 | C21H24O7 | 388.1522031 | -1.6519 | 3 | 5.887 | 3 | 3 | 113.29 | 15 | 2 | 28 | 1 | |
NPC99441 | C10H10O5 | Methyl Haematommate | 210.05 | -0.4598 | 2.01 | 2.243 | 3 | 2 | 83.83 | 7 | 1 | 15 | 0 |