Ingredient ID: NPC34770
Formula: C14H13NO4
Ingredient ID: NPC34437
Formula: C16H13NO5
Ingredient ID: NPC295137
Formula: C11H11NO
Ingredient ID: NPC291782
Formula: C20H19NO3
Ingredient ID: NPC268223
Formula: C18H19NO5
Ingredient ID: NPC237161
Formula: C15H15NO5
Ingredient ID: NPC234933
Formula: C20H19NO3
Ingredient ID: NPC225311
Formula: C16H13NO5
Ingredient ID: NPC223810
Formula: C16H15NO3
Ingredient ID: NPC217176
Formula: C14H13NO4
Ingredient ID: NPC194573
Formula: C21H28O4
Ingredient ID: NPC169135
Formula: C18H17NO4
Ingredient ID: NPC157983
Formula: C17H15NO5
Ingredient ID: NPC138261
Formula: C30H50O
Ingredient ID: NPC118189
Formula: C17H17NO5
Ingredient ID: NPC118154
Formula: C17H15NO5
Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
NPC118154 | C17H15NO5 | 4,5-Dimethoxy-11-Methyl-[1,3]Dioxolo[4,5-C]Acridin-6-One | 313.1 | -0.5546 | 2.67 | 1.908 | 2 | 0 | 57.23 | 5 | 4 | 23 | 0 |
NPC118189 | C17H17NO5 | Normelicopicine | 315.11 | -0.764 | 2.67 | 1.462 | 2 | 1 | 68.23 | 8 | 3 | 23 | 0 |
NPC138261 | C30H50O | (3S,4aR,6aS,6bS,8aR,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,7,8,9,10,11,12,12a,13,14,14a-tetradecahydro-1H-picen-3-ol | 426.3861662 | 2.3656 | 4.65 | 11.448 | 1 | 1 | 20.23 | 0 | 5 | 31 | 1 |
NPC157983 | C17H15NO5 | 313.1 | -0.5546 | 2.67 | 1.908 | 2 | 0 | 57.23 | 5 | 4 | 23 | 0 | |
NPC169135 | C18H17NO4 | 311.115758 | 0.6501 | 2.89 | 2.505 | 5 | 0 | 53.72 | 2 | 4 | 23 | 0 | |
NPC194573 | C21H28O4 | 344.1987594 | 2.9664 | 3.33 | 5.094 | 4 | 0 | 44.76 | 10 | 1 | 25 | 1 | |
NPC217176 | C14H13NO4 | Kokusaginine | 259.08 | -0.3095 | 2.45 | 1.624 | 1 | 0 | 53.72 | 6 | 3 | 19 | 0 |
NPC223810 | C16H15NO3 | 269.1051933 | -0.2519 | 2.78 | 2.869 | 4 | 0 | 38.77 | 2 | 3 | 20 | 0 | |
NPC225311 | C16H13NO5 | 299.0793725 | -1.0905 | 2.56 | 1.669 | 6 | 1 | 66.02 | 2 | 4 | 22 | 0 | |
NPC234933 | C20H19NO3 | Acronine | 321.14 | 0.7077 | 3.22 | 3.75 | 2 | 0 | 38.77 | 5 | 4 | 24 | 0 |
NPC237161 | C15H15NO5 | 4,5,7,8-tetramethoxyfuro[2,3-b]quinoline | 289.0950226 | -0.3613 | 2.45 | 1.18 | 1 | 0 | 62.95 | 4 | 3 | 21 | 0 |
NPC268223 | C18H19NO5 | 329.13 | -0.3555 | 2.78 | 1.981 | 2 | 0 | 57.23 | 9 | 3 | 24 | 0 | |
NPC291782 | C20H19NO3 | 321.1364935 | 0.7077 | 3.22 | 3.75 | 4 | 0 | 38.77 | 1 | 4 | 24 | 0 | |
NPC295137 | C11H11NO | 173.084064 | 0.2055 | 2.45 | 2.968 | 2 | 0 | 20.31 | 0 | 2 | 13 | 0 | |
NPC34437 | C16H13NO5 | 299.0793725 | -0.9631 | 2.56 | 1.389 | 6 | 1 | 68.23 | 1 | 4 | 22 | 0 | |
NPC34770 | C14H13NO4 | Skimmianine | 259.08 | -0.3095 | 2.45 | 1.624 | 1 | 0 | 53.72 | 6 | 3 | 19 | 0 |