Ingredient ID: NPC94943
Formula: C18H19NO
Ingredient ID: NPC47517
Formula: C27H44O4
Ingredient ID: NPC43787
Formula: C18H17NO
Ingredient ID: NPC302107
Formula: C9H6O4
Ingredient ID: NPC296115
Formula: C16H16O5
Ingredient ID: NPC276043
Formula: C19H20O7
Ingredient ID: NPC247803
Formula: C14H11NO3
Ingredient ID: NPC24615
Formula: C20H26O6
Ingredient ID: NPC241341
Formula: C20H24O4
Ingredient ID: NPC205934
Formula: C23H25NO
Ingredient ID: NPC190007
Formula: C23H27NO
Ingredient ID: NPC187501
Formula: C14H11NO2
Ingredient ID: NPC178101
Formula: C11H12O3
Ingredient ID: NPC162803
Formula: C19H18O7
Ingredient ID: NPC100576
Formula: C30H31NO7
Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
NPC100576 | C30H31NO7 | 517.2100523 | -0.4456 | 3.88 | 2.78 | 2 | 3 | 102.4 | 5 | 6 | 38 | 0 | |
NPC162803 | C19H18O7 | 358.1052529 | 0.3057 | 2.78 | 1.698 | 7 | 1 | 94.59 | 5 | 4 | 26 | 0 | |
NPC178101 | C11H12O3 | 192.0786442 | -0.0796 | 2.34 | 2.972 | 3 | 0 | 35.53 | 2 | 2 | 14 | 0 | |
NPC187501 | C14H11NO2 | Murrayanine | 225.08 | -0.6646 | 2.67 | 3.074 | 2 | 1 | 42.09 | 3 | 3 | 17 | 0 |
NPC190007 | C23H27NO | 333.21 | 2.8709 | 3.77 | 6.308 | 1 | 2 | 36.02 | 10 | 3 | 25 | 1 | |
NPC205934 | C23H25NO | Mahanimbine | 331.19 | 2.7573 | 3.77 | 6.132 | 1 | 1 | 25.02 | 7 | 4 | 25 | 1 |
NPC241341 | C20H24O4 | 7-[(2E)-3,7-Dimethylocta-2,6-Dienoxy]-6-Methoxychromen-2-One | 328.17 | 2.8641 | 3.22 | 4.63 | 1 | 0 | 44.76 | 11 | 2 | 24 | 0 |
NPC24615 | C20H26O6 | [3-hydroxy-1-(7-methoxy-2-oxochromen-8-yl)-3-methylbutan-2-yl] 3-methylbutanoate | 362.1729386 | 0.8806 | 3 | 3.664 | 4 | 1 | 82.06 | 8 | 2 | 26 | 0 |
NPC247803 | C14H11NO3 | 2-Hydroxy-3-Formyl-7-Methoxycarbazole | 241.07 | -1.1249 | 2.56 | 2.329 | 2 | 2 | 62.32 | 4 | 3 | 18 | 0 |
NPC276043 | C19H20O7 | 360.120903 | 0.2818 | 2.78 | 1.876 | 7 | 1 | 91.29 | 3 | 4 | 26 | 0 | |
NPC296115 | C16H16O5 | 2-[(8S)-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl]propan-2-yl acetate | 288.0997736 | 0.6408 | 2.67 | 2.833 | 3 | 0 | 61.83 | 3 | 3 | 21 | 0 |
NPC302107 | C9H6O4 | 5,7-Dihydroxycoumarin | 178.03 | -0.6506 | 2.01 | 0.569 | 1 | 2 | 66.76 | 2 | 2 | 13 | 0 |
NPC43787 | C18H17NO | Grinimibine | 263.13 | 1.1294 | 3.22 | 4.416 | 1 | 1 | 25.02 | 3 | 4 | 20 | 0 |
NPC47517 | C27H44O4 | 432.3239599 | 0.1181 | 3.99 | 6.494 | 4 | 2 | 58.92 | 0 | 6 | 31 | 1 | |
NPC94943 | C18H19NO | Siamenol | 265.15 | 1.6387 | 3.22 | 4.697 | 1 | 2 | 36.02 | 6 | 3 | 20 | 0 |