Ingredient ID: NPC94157
Formula: C28H24N2O2
Ingredient ID: NPC89410
Formula: C24H29NO
Ingredient ID: NPC62238
Formula: C15H16O3
Ingredient ID: NPC476106
Formula: C23H25NO2
Ingredient ID: NPC476044
Formula: C22H23NO
Ingredient ID: NPC475253
Formula: C37H36N2O2
Ingredient ID: NPC475112
Formula: C23H25NO2
Ingredient ID: NPC475085
Formula: C23H25NO2
Ingredient ID: NPC296644
Formula: C15H14O4
Ingredient ID: NPC291535
Formula: C18H17NO2
Ingredient ID: NPC282577
Formula: C15H16O3
Ingredient ID: NPC243834
Formula: C19H21NO2
Ingredient ID: NPC242928
Formula: C14H13NO
Ingredient ID: NPC205934
Formula: C23H25NO
Ingredient ID: NPC202503
Formula: C38H40N2O4
Ingredient ID: NPC199667
Formula: C28H24N2O2
Ingredient ID: NPC184408
Formula: C14H11NO3
Ingredient ID: NPC151695
Formula: C15H14O3
Ingredient ID: NPC13784
Formula: C15H12O3
Ingredient ID: NPC128823
Formula: C14H13NO2
Ingredient ID: NPC115232
Formula: C13H9NO2
Ingredient ID: NPC11017
Formula: C23H25NO
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 | |
NPC11017 | C23H25NO | 331.1936144 | 1.483 | 3.77 | 5.702 | 1 | 0 | 14.16 | 4 | 6 | 25 | 1 | |
NPC115232 | C13H9NO2 | Murrayaquinone A | 211.06 | -0.1405 | 2.56 | 2.19 | 3 | 1 | 49.93 | 1 | 3 | 16 | 0 |
NPC128823 | C14H13NO2 | Koenoline | 227.09 | -0.9209 | 2.67 | 2.403 | 2 | 2 | 45.25 | 4 | 3 | 17 | 0 |
NPC13784 | C15H12O3 | Mansonone F | 240.08 | 0.8209 | 2.78 | 2.598 | 3 | 0 | 43.37 | 3 | 3 | 18 | 0 |
NPC151695 | C15H14O3 | 242.0942943 | 0.5727 | 2.78 | 2.798 | 3 | 0 | 43.37 | 0 | 3 | 18 | 0 | |
NPC184408 | C14H11NO3 | Mukoeic Acid | 241.07 | -0.712 | 2.56 | 2.66 | 3 | 2 | 62.32 | 4 | 3 | 18 | 0 |
NPC199667 | C28H24N2O2 | Sid506300 | 420.18 | 0.1538 | 4.1 | 6.906 | 2 | 2 | 50.04 | 7 | 6 | 32 | 1 |
NPC202503 | C38H40N2O4 | 588.3 | 3.1738 | 4.98 | 8.11 | 2 | 4 | 90.5 | 17 | 6 | 44 | 1 | |
NPC205934 | C23H25NO | Mahanimbine | 331.19 | 2.7573 | 3.77 | 6.132 | 1 | 1 | 25.02 | 7 | 4 | 25 | 1 |
NPC242928 | C14H13NO | Murrayafoline A | 211.1 | 0.1698 | 2.78 | 3.746 | 1 | 1 | 25.02 | 3 | 3 | 16 | 0 |
NPC243834 | C19H21NO2 | Sid506287 | 295.16 | 1.5869 | 3.22 | 3.831 | 1 | 2 | 45.25 | 8 | 3 | 22 | 0 |
NPC282577 | C15H16O3 | Mansonone G | 244.11 | 1.1412 | 2.78 | 2.561 | 2 | 1 | 54.37 | 6 | 2 | 18 | 0 |
NPC291535 | C18H17NO2 | Sid506290 | 279.13 | 0.6691 | 3.11 | 3.242 | 1 | 2 | 45.25 | 4 | 4 | 21 | 0 |
NPC296644 | C15H14O4 | 258.0892089 | 0.1124 | 2.67 | 1.202 | 4 | 1 | 63.6 | 0 | 3 | 19 | 0 | |
NPC475085 | C23H25NO2 | Sid506292 | 347.19 | 2.297 | 3.66 | 4.958 | 1 | 2 | 45.25 | 8 | 4 | 26 | 0 |
NPC475112 | C23H25NO2 | Sid506289 | 347.19 | 2.297 | 3.66 | 4.958 | 1 | 2 | 45.25 | 8 | 4 | 26 | 0 |
NPC475253 | C37H36N2O2 | 540.28 | 2.7303 | 5.09 | 9.273 | 2 | 1 | 39.18 | 11 | 7 | 41 | 1 | |
NPC476044 | C22H23NO | 317.18 | 1.4322 | 3.66 | 5.333 | 1 | 1 | 25.02 | 4 | 5 | 24 | 1 | |
NPC476106 | C23H25NO2 | Sid506296 | 347.19 | 1.3007 | 3.66 | 4.569 | 2 | 2 | 45.25 | 8 | 4 | 26 | 0 |
NPC62238 | C15H16O3 | 244.1099444 | 1.1412 | 2.78 | 2.561 | 3 | 1 | 54.37 | 1 | 2 | 18 | 0 | |
NPC89410 | C24H29NO | 347.2249145 | 2.2124 | 3.88 | 6.461 | 1 | 0 | 14.16 | 0 | 4 | 26 | 1 | |
NPC94157 | C28H24N2O2 | Sid506299 | 420.18 | 0.1428 | 4.1 | 6.887 | 2 | 1 | 39.18 | 7 | 6 | 32 | 1 |