Ingredient ID: NPC39837
Formula: C20H34O2
Ingredient ID: NPC32298
Formula: C15H10O2
Ingredient ID: NPC254225
Formula: C20H30O2
Ingredient ID: NPC241060
Formula: C21H26O4
Ingredient ID: NPC233282
Formula: C14H12O3
Ingredient ID: NPC22783
Formula: C15H10O3
Ingredient ID: NPC197425
Formula: C15H10O3
Ingredient ID: NPC193805
Formula: C15H10O3
Ingredient ID: NPC144394
Formula: C33H40O19
Ingredient ID: NPC128216
Formula: C15H10O4
Ingredient ID: NPC12323
Formula: C33H40O19
Ingredient ID: NPC121560
Formula: C21H20O9
Ingredient ID: NPC118343
Formula: C14H12O2
Ingredient ID: NPC101899
Formula: C15H10O4
Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
NPC101899 | C15H10O4 | 5,8-dihydroxy-2-phenylchromen-4-one | 254.0579088 | -1.4242 | 2.67 | 3.163 | 1 | 2 | 66.76 | 1 | 3 | 19 | 0 |
NPC118343 | C14H12O2 | Benzyl Benzoate | 212.08 | -0.0795 | 2.78 | 5.895 | 2 | 0 | 26.3 | 4 | 2 | 16 | 1 |
NPC121560 | C21H20O9 | 416.1107322 | -3.1711 | 2.78 | 1.633 | 6 | 5 | 145.91 | 4 | 4 | 30 | 0 | |
NPC12323 | C33H40O19 | 3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one | 740.2163791 | -6.9256 | 3 | -1.488 | 15 | 11 | 304.21 | 8 | 6 | 52 | 2 |
NPC128216 | C15H10O4 | 3,5-Dihydroxy-2-Phenylchromen-4-One | 254.06 | -1.4203 | 2.67 | 4.474 | 2 | 2 | 66.76 | 3 | 3 | 19 | 0 |
NPC144394 | C33H40O19 | 740.2163791 | -6.9256 | 3 | -1.917 | 15 | 11 | 304.21 | 8 | 6 | 52 | 2 | |
NPC193805 | C15H10O3 | 238.0629942 | -0.9639 | 2.78 | 3.915 | 1 | 1 | 46.53 | 2 | 3 | 18 | 0 | |
NPC197425 | C15H10O3 | 5-Hydroxyflavone | 238.06 | -0.9639 | 2.78 | 4.126 | 1 | 1 | 46.53 | 2 | 3 | 18 | 0 |
NPC22783 | C15H10O3 | 2-(4-Hydroxyphenyl)Chromen-4-One | 238.06 | -0.9639 | 2.78 | 3.704 | 1 | 1 | 46.53 | 2 | 3 | 18 | 0 |
NPC233282 | C14H12O3 | Benzyl Salicylate | 228.08 | -0.5398 | 2.67 | 5.493 | 2 | 1 | 46.53 | 5 | 2 | 17 | 1 |
NPC241060 | C21H26O4 | 342.1831093 | 1.7766 | 3.33 | 1.197 | 4 | 0 | 60.44 | 3 | 3 | 25 | 0 | |
NPC254225 | C20H30O2 | (3aR,5Z,9E,12aS)-3a,6-dimethyl-1-propan-2-yl-4,7,8,11,12,12a-hexahydro-3H-cyclopenta[11]annulene-10-carboxylic acid | 302.2245802 | 3.2114 | 3.44 | 6.257 | 2 | 1 | 37.3 | 2 | 2 | 22 | 1 |
NPC32298 | C15H10O2 | Flavone | 222.07 | -0.5036 | 2.89 | 5.3 | 1 | 0 | 26.3 | 1 | 3 | 17 | 1 |
NPC39837 | C20H34O2 | 306.2558803 | 1.3998 | 3.44 | 4.132 | 2 | 2 | 40.46 | 1 | 3 | 22 | 0 |