Ingredient ID: NPC7467
Formula: C22H27NO4
Ingredient ID: NPC7018
Formula: C11H13NO2
Ingredient ID: NPC69786
Formula: C21H21NO5
Ingredient ID: NPC31930
Formula: C22H24NO4
Ingredient ID: NPC305910
Formula: C21H23NO4
Ingredient ID: NPC270275
Formula: C21H21NO5
Ingredient ID: NPC249797
Formula: C19H21NO4
Ingredient ID: NPC244968
Formula: C16H25NO2
Ingredient ID: NPC216459
Formula: C20H21NO4
Ingredient ID: NPC210437
Formula: C21H25NO4
Ingredient ID: NPC207757
Formula: C20H23NO4
Ingredient ID: NPC205421
Formula: C20H23NO4
Ingredient ID: NPC204828
Formula: C20H23NO4
Ingredient ID: NPC202771
Formula: C22H23NO7
Ingredient ID: NPC19386
Formula: C21H21NO7
Ingredient ID: NPC187100
Formula: C21H25NO4
Ingredient ID: NPC163436
Formula: C21H25NO4
Ingredient ID: NPC158376
Formula: C19H21NO4
Ingredient ID: NPC157504
Formula: C20H21NO4
Ingredient ID: NPC156372
Formula: C20H21NO4
Ingredient ID: NPC152609
Formula: C22H25NO5
Ingredient ID: NPC130391
Formula: C21H21NO5
Ingredient ID: NPC117188
Formula: C20H23NO4
Ingredient ID: NPC114364
Formula: C19H19NO4
Ingredient ID: NPC106295
Formula: C21H25NO4
Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
NPC106295 | C21H25NO4 | 355.1783583 | 0.0968 | 3.22 | 2.548 | 1 | 0 | 40.16 | 8 | 4 | 26 | 0 | |
NPC114364 | C19H19NO4 | (S)-Bulbocapnine | 325.13 | -0.4201 | 3 | 1.645 | 1 | 1 | 51.16 | 4 | 5 | 24 | 0 |
NPC117188 | C20H23NO4 | Corydine | 341.16 | -0.221 | 3.11 | 1.718 | 1 | 1 | 51.16 | 8 | 4 | 25 | 0 |
NPC130391 | C21H21NO5 | 367.1419728 | -0.1801 | 3.11 | 2.153 | 2 | 0 | 57.23 | 0 | 5 | 27 | 0 | |
NPC152609 | C22H25NO5 | 383.1732729 | 0.019 | 3.22 | 2.226 | 2 | 0 | 57.23 | 2 | 4 | 28 | 0 | |
NPC156372 | C20H21NO4 | 339.1470582 | -0.4398 | 3.11 | 2.253 | 1 | 1 | 51.16 | 1 | 5 | 25 | 0 | |
NPC157504 | C20H21NO4 | 339.1470582 | -0.4398 | 3.11 | 2.253 | 1 | 1 | 51.16 | 1 | 5 | 25 | 0 | |
NPC158376 | C19H21NO4 | Corytuberine | 327.15 | -0.6295 | 3 | 1.199 | 1 | 2 | 62.16 | 7 | 4 | 24 | 0 |
NPC163436 | C21H25NO4 | (13S,13aR)-2,9,10-trimethoxy-13-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-3-ol | 355.1783583 | -0.2407 | 3.22 | 2.326 | 1 | 1 | 51.16 | 3 | 4 | 26 | 0 |
NPC187100 | C21H25NO4 | 355.1783583 | -0.2407 | 3.22 | 2.326 | 1 | 1 | 51.16 | 3 | 4 | 26 | 0 | |
NPC19386 | C21H21NO7 | 399.131802 | -0.5892 | 2.89 | 2.172 | 4 | 1 | 94.53 | 7 | 4 | 29 | 0 | |
NPC202771 | C22H23NO7 | Noscapine | 413.15 | -0.2673 | 3 | 2.133 | 3 | 0 | 75.69 | 8 | 5 | 30 | 0 |
NPC204828 | C20H23NO4 | (R)-3-Hydroxyl-2,9,10-Trimethoxytetrahyrdooxyprotoberberine | 341.16 | -0.3117 | 3.11 | 2.029 | 1 | 1 | 51.16 | 7 | 4 | 25 | 0 |
NPC205421 | C20H23NO4 | Isocorydine | 341.16 | -0.221 | 3.11 | 1.718 | 1 | 1 | 51.16 | 8 | 4 | 25 | 0 |
NPC207757 | C20H23NO4 | 14-(R)-2-Hydroxyl-3,9,10-Trimethoxytetrahyrdooxyprotoberberine | 341.16 | -0.3117 | 3.11 | 2.029 | 1 | 1 | 51.16 | 7 | 4 | 25 | 0 |
NPC210437 | C21H25NO4 | Tetrahydropalmatine | 355.18 | 0.0968 | 3.22 | 2.548 | 1 | 0 | 40.16 | 8 | 4 | 26 | 0 |
NPC216459 | C20H21NO4 | Canadine | 339.15 | -0.1023 | 3.11 | 2.475 | 1 | 0 | 40.16 | 4 | 5 | 25 | 0 |
NPC244968 | C16H25NO2 | [(1S,2S)-2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]methyl-dimethylazanium | 264.1963541 | -2.3956 | 2.89 | 2.722 | 1 | 2 | 33.9 | 4 | 2 | 19 | 0 |
NPC249797 | C19H21NO4 | (13Ar)-3,10-Dimethoxy-6,8,13,13A-Tetrahydro-5H-Isoquinolino[2,1-B]Isoquinoline-2,9-Diol | 327.15 | -0.7202 | 3 | 1.51 | 1 | 2 | 62.16 | 6 | 4 | 24 | 0 |
NPC270275 | C21H21NO5 | 367.1419728 | -0.7048 | 3.11 | 1.999 | 2 | 1 | 60.39 | 0 | 6 | 27 | 0 | |
NPC305910 | C21H23NO4 | 353.1627082 | -0.0313 | 3.22 | 2.772 | 1 | 0 | 40.16 | 2 | 5 | 26 | 0 | |
NPC31930 | C22H24NO4 | 366.1705332 | -0.7419 | 3.33 | 3.081 | 0 | 0 | 40.8 | 9 | 4 | 27 | 0 | |
NPC69786 | C21H21NO5 | 367.1419728 | -0.1801 | 3.11 | 2.153 | 2 | 0 | 57.23 | 0 | 5 | 27 | 0 | |
NPC7018 | C11H13NO2 | 6-Methyl-7,8-Dihydro-5H-[1,3]Dioxolo[4,5-G]Isoquinoline | 191.09 | 0.0916 | 2.34 | 1.214 | 1 | 0 | 21.7 | 1 | 3 | 14 | 0 |
NPC7467 | C22H27NO4 | Corydaline | 369.19 | 0.1678 | 3.33 | 2.845 | 1 | 0 | 40.16 | 9 | 4 | 27 | 0 |