Ingredient ID: NPC97072
Formula: C16H17NO3
Ingredient ID: NPC96963
Formula: C16H15NO6
Ingredient ID: NPC86415
Formula: C19H23NO5
Ingredient ID: NPC77014
Formula: C19H23NO5
Ingredient ID: NPC71468
Formula: C17H19NO5
Ingredient ID: NPC70300
Formula: C17H17NO3
Ingredient ID: NPC6362
Formula: C16H11NO3
Ingredient ID: NPC50811
Formula: C17H19NO5
Ingredient ID: NPC47832
Formula: C17H19NO5
Ingredient ID: NPC45680
Formula: C19H23NO5
Ingredient ID: NPC310782
Formula: C18H19NO4
Ingredient ID: NPC30741
Formula: C20H25NO5
Ingredient ID: NPC296765
Formula: C17H19NO4
Ingredient ID: NPC28727
Formula: C21H25NO7
Ingredient ID: NPC28624
Formula: C16H11NO3
Ingredient ID: NPC282549
Formula: C16H17NO3
Ingredient ID: NPC264299
Formula: C17H21NO5
Ingredient ID: NPC253675
Formula: C16H9NO3
Ingredient ID: NPC252349
Formula: C17H18O4
Ingredient ID: NPC23760
Formula: C16H16O4
Ingredient ID: NPC235209
Formula: C17H18O4
Ingredient ID: NPC228817
Formula: C19H23NO5
Ingredient ID: NPC221603
Formula: C14H10O4
Ingredient ID: NPC218029
Formula: C17H19NO4
Ingredient ID: NPC210138
Formula: C18H19NO5
Ingredient ID: NPC205223
Formula: C16H16O4
Ingredient ID: NPC204736
Formula: C16H14O4
Ingredient ID: NPC200381
Formula: C16H17NO4
Ingredient ID: NPC181653
Formula: C16H17NO4
Ingredient ID: NPC173741
Formula: C15H9NO3
Ingredient ID: NPC158148
Formula: C17H19NO4
Ingredient ID: NPC14921
Formula: C17H21NO5
Ingredient ID: NPC147869
Formula: C18H19NO5
Ingredient ID: NPC147686
Formula: C15H12O4
Ingredient ID: NPC143427
Formula: C15H12O4
Ingredient ID: NPC121441
Formula: C16H17NO4
Ingredient ID: NPC119316
Formula: C18H19NO4
Ingredient ID: NPC113873
Formula: C17H19NO3
Ingredient ID: NPC1043
Formula: C17H19NO4
Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
NPC1043 | C17H19NO4 | 301.1314081 | -0.8136 | 2.78 | 0.545 | 5 | 1 | 51.16 | 1 | 5 | 22 | 0 | |
NPC113873 | C17H19NO3 | 285.1364935 | -0.868 | 2.89 | 1.954 | 4 | 2 | 52.93 | 2 | 3 | 21 | 0 | |
NPC119316 | C18H19NO4 | 313.1314081 | -0.3827 | 2.89 | 1.729 | 5 | 0 | 48 | 2 | 5 | 23 | 0 | |
NPC121441 | C16H17NO4 | 287.115758 | -1.5281 | 2.67 | -0.041 | 5 | 2 | 62.16 | 0 | 5 | 21 | 0 | |
NPC143427 | C15H12O4 | 256.0735589 | -1.2836 | 2.67 | 2.764 | 1 | 3 | 77.76 | 6 | 2 | 19 | 0 | |
NPC147686 | C15H12O4 | Liquirtigenin | 256.07 | -1.3541 | 2.67 | 1.86 | 1 | 2 | 66.76 | 3 | 3 | 19 | 0 |
NPC147869 | C18H19NO5 | 329.1263227 | -1.149 | 2.78 | 0.699 | 6 | 1 | 68.23 | 2 | 5 | 24 | 0 | |
NPC14921 | C17H21NO5 | 319.1419728 | -2.0801 | 2.67 | 0.392 | 3 | 2 | 71.39 | 1 | 5 | 23 | 0 | |
NPC158148 | C17H19NO4 | 301.13 | -1.1196 | 2.78 | 0.478 | 3 | 1 | 51.16 | 3 | 5 | 22 | 0 | |
NPC173741 | C15H9NO3 | 251.0582431 | -1.5554 | 2.67 | 2.262 | 2 | 2 | 62.46 | 0 | 4 | 19 | 0 | |
NPC181653 | C16H17NO4 | Lycorine | 287.12 | -1.1164 | 2.67 | 0.203 | 3 | 2 | 62.16 | 2 | 5 | 21 | 0 |
NPC200381 | C16H17NO4 | 287.115758 | -1.5281 | 2.67 | -0.041 | 5 | 2 | 62.16 | 0 | 5 | 21 | 0 | |
NPC204736 | C16H14O4 | 270.0892089 | -0.9456 | 2.78 | 3.012 | 4 | 1 | 55.76 | 2 | 3 | 20 | 0 | |
NPC205223 | C16H16O4 | 272.104859 | -1.1649 | 2.78 | 2.422 | 4 | 2 | 58.92 | 2 | 3 | 20 | 0 | |
NPC210138 | C18H19NO5 | 329.1263227 | -1.149 | 2.78 | 0.699 | 4 | 1 | 68.23 | 2 | 5 | 24 | 0 | |
NPC218029 | C17H19NO4 | 301.1314081 | -1.1196 | 2.78 | 0.478 | 3 | 1 | 51.16 | 1 | 5 | 22 | 0 | |
NPC221603 | C14H10O4 | 242.0579088 | -0.9554 | 2.56 | 2.698 | 4 | 1 | 55.76 | 2 | 3 | 18 | 0 | |
NPC228817 | C19H23NO5 | 345.1576228 | -0.9278 | 2.89 | 1.165 | 6 | 1 | 58.18 | 3 | 5 | 25 | 0 | |
NPC235209 | C17H18O4 | 286.1205091 | -0.7341 | 2.89 | 1.46 | 2 | 2 | 58.92 | 0 | 5 | 21 | 0 | |
NPC23760 | C16H16O4 | 272.104859 | -1.4025 | 2.78 | 2.918 | 4 | 2 | 58.92 | 2 | 3 | 20 | 0 | |
NPC252349 | C17H18O4 | 286.1205091 | -0.7305 | 2.89 | 3.121 | 4 | 1 | 55.76 | 6 | 2 | 21 | 0 | |
NPC253675 | C16H9NO3 | 263.06 | -0.9375 | 2.78 | 2.798 | 2 | 0 | 40.46 | 0 | 5 | 20 | 0 | |
NPC264299 | C17H21NO5 | 319.1419728 | -2.0801 | 2.67 | 0.392 | 6 | 2 | 71.39 | 1 | 5 | 23 | 0 | |
NPC282549 | C16H17NO3 | 271.1208434 | -0.7618 | 2.78 | 0.989 | 2 | 1 | 41.93 | 0 | 5 | 20 | 0 | |
NPC28624 | C16H11NO3 | 265.0738932 | -1.1469 | 2.78 | 2.352 | 2 | 1 | 51.46 | 1 | 4 | 20 | 0 | |
NPC28727 | C21H25NO7 | 403.1631021 | -1.3219 | 2.89 | 1.443 | 8 | 0 | 83.53 | 5 | 5 | 29 | 0 | |
NPC296765 | C17H19NO4 | 301.1314081 | -1.1196 | 2.78 | 0.478 | 5 | 1 | 51.16 | 1 | 5 | 22 | 0 | |
NPC30741 | C20H25NO5 | 359.1732729 | -0.3919 | 3 | 1.404 | 6 | 0 | 49.39 | 3 | 5 | 26 | 0 | |
NPC310782 | C18H19NO4 | 313.1314081 | -0.3827 | 2.89 | 1.729 | 5 | 0 | 48 | 2 | 5 | 23 | 0 | |
NPC45680 | C19H23NO5 | 345.1576228 | -0.9278 | 2.89 | 1.165 | 6 | 1 | 58.18 | 3 | 5 | 25 | 0 | |
NPC47832 | C17H19NO5 | 317.1263227 | -1.4593 | 2.67 | -0.057 | 6 | 2 | 71.39 | 1 | 5 | 23 | 0 | |
NPC50811 | C17H19NO5 | 317.1263227 | -1.4593 | 2.67 | -0.057 | 6 | 2 | 71.39 | 1 | 5 | 23 | 0 | |
NPC6362 | C16H11NO3 | 265.0738932 | -1.1469 | 2.78 | 2.352 | 2 | 1 | 51.46 | 1 | 4 | 20 | 0 | |
NPC70300 | C17H17NO3 | 283.1208434 | 0.4529 | 2.89 | 1.342 | 4 | 0 | 30.93 | 1 | 5 | 21 | 0 | |
NPC71468 | C17H19NO5 | 317.1263227 | -1.5363 | 2.67 | -0.049 | 6 | 1 | 63.69 | 1 | 6 | 23 | 0 | |
NPC77014 | C19H23NO5 | 345.1576228 | -0.9278 | 2.89 | 1.165 | 6 | 1 | 58.18 | 3 | 5 | 25 | 0 | |
NPC86415 | C19H23NO5 | 345.1576228 | -0.9278 | 2.89 | 1.165 | 6 | 1 | 58.18 | 3 | 5 | 25 | 0 | |
NPC96963 | C16H15NO6 | 317.0899372 | -2.2363 | 2.45 | -1.133 | 7 | 3 | 99.46 | 0 | 5 | 23 | 0 | |
NPC97072 | C16H17NO3 | Vittatine | 271.12 | -0.7618 | 2.78 | 0.989 | 2 | 1 | 41.93 | 1 | 5 | 20 | 0 |