Ingredient ID: NPC92830
Formula: C10H8O4
Ingredient ID: NPC34770
Formula: C14H13NO4
Ingredient ID: NPC32557
Formula: C19H18O7
Ingredient ID: NPC245210
Formula: C17H17NO6
Ingredient ID: NPC217176
Formula: C14H13NO4
Ingredient ID: NPC19242
Formula: C20H24O4
Ingredient ID: NPC173250
Formula: C14H11NO5
Ingredient ID: NPC168922
Formula: C13H9NO4
Ingredient ID: NPC140296
Formula: C14H13NO4
Ingredient ID: NPC120900
Formula: C20H24O4
Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
NPC120900 | C20H24O4 | 7-(3,7-dimethylocta-2,6-dienoxy)-8-methoxychromen-2-one | 328.1674592 | 2.8641 | 3.22 | 4.63 | 1 | 0 | 44.76 | 7 | 2 | 24 | 0 |
NPC140296 | C14H13NO4 | 259.0844579 | -0.3095 | 2.45 | 1.624 | 1 | 0 | 53.72 | 6 | 3 | 19 | 0 | |
NPC168922 | C13H9NO4 | Maculine | 243.05 | -0.5086 | 2.34 | 1.551 | 1 | 0 | 53.72 | 2 | 4 | 18 | 0 |
NPC173250 | C14H11NO5 | Flindersiamine | 273.06 | -0.5604 | 2.34 | 1.107 | 1 | 0 | 62.95 | 4 | 4 | 20 | 0 |
NPC19242 | C20H24O4 | 328.1674592 | 2.8641 | 3.22 | 4.63 | 1 | 0 | 44.76 | 11 | 2 | 24 | 0 | |
NPC217176 | C14H13NO4 | Kokusaginine | 259.08 | -0.3095 | 2.45 | 1.624 | 1 | 0 | 53.72 | 6 | 3 | 19 | 0 |
NPC245210 | C17H17NO6 | 331.1055873 | -0.9762 | 2.56 | 1.047 | 3 | 2 | 94.18 | 4 | 4 | 24 | 0 | |
NPC32557 | C19H18O7 | 358.1052529 | -1.5112 | 2.78 | 2.401 | 2 | 1 | 83.45 | 10 | 3 | 26 | 0 | |
NPC34770 | C14H13NO4 | Skimmianine | 259.08 | -0.3095 | 2.45 | 1.624 | 1 | 0 | 53.72 | 6 | 3 | 19 | 0 |
NPC92830 | C10H8O4 | 7-Hydroxy-8-Methoxychromen-2-One | 192.04 | -0.2421 | 2.12 | 1.088 | 1 | 1 | 55.76 | 3 | 2 | 14 | 0 |