Ingredient ID: NPC99170
Formula: C14H10N2O2
Ingredient ID: NPC88573
Formula: C11H9ClN2O2
Ingredient ID: NPC71540
Formula: C15H12N2O3
Ingredient ID: NPC59506
Formula: C19H32O2
Ingredient ID: NPC59108
Formula: C13H8N2O4
Ingredient ID: NPC49561
Formula: C10H5Cl2FN2O2
Ingredient ID: NPC37802
Formula: C17H28O2
Ingredient ID: NPC36168
Formula: C12H8N2O
Ingredient ID: NPC29128
Formula: C16H14N2O4
Ingredient ID: NPC289574
Formula: C7H6ClNO2
Ingredient ID: NPC288202
Formula: C12H8N2O2
Ingredient ID: NPC287823
Formula: C14H8N2O7
Ingredient ID: NPC285635
Formula: C13H10N2O
Ingredient ID: NPC271638
Formula: C17H16N2O5
Ingredient ID: NPC265024
Formula: C11H16O2
Ingredient ID: NPC26211
Formula: C13H8N2O3
Ingredient ID: NPC261178
Formula: C11H16O3
Ingredient ID: NPC258773
Formula: C14H12N2O2
Ingredient ID: NPC256268
Formula: C14H8N2O4
Ingredient ID: NPC251949
Formula: C16H12N2O4
Ingredient ID: NPC219848
Formula: C13H8N2O2
Ingredient ID: NPC213345
Formula: C10H8ClNO2
Ingredient ID: NPC209217
Formula: C15H14N2O3
Ingredient ID: NPC192698
Formula: C19H18N2O7
Ingredient ID: NPC186994
Formula: C15H12N2O3
Ingredient ID: NPC178218
Formula: C13H8N2O4
Ingredient ID: NPC170656
Formula: C16H14N2O4
Ingredient ID: NPC167647
Formula: C15H12N2O3
Ingredient ID: NPC157925
Formula: C10H5Cl3N2O2
Ingredient ID: NPC1527
Formula: C13H10N2O
Ingredient ID: NPC147398
Formula: C13H8N2O3
Ingredient ID: NPC146394
Formula: C25H16N4O2
Ingredient ID: NPC140751
Formula: C10H8ClNO2
Ingredient ID: NPC131383
Formula: C12H8N2O3
Ingredient ID: NPC115049
Formula: C10H6Cl2N2O2
Ingredient ID: NPC105363
Formula: C13H8N2O5
Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
NPC105363 | C13H8N2O5 | 272.0433214 | -1.6207 | 2.12 | 1.797 | 4 | 4 | 123.77 | 1 | 3 | 20 | 0 | |
NPC115049 | C10H6Cl2N2O2 | Pyrrolnitrin | 255.98 | 1.7283 | 1.9 | 2.865 | 1 | 1 | 58.93 | 5 | 2 | 16 | 0 |
NPC131383 | C12H8N2O3 | 228.0534921 | -1.3809 | 2.23 | 1.148 | 2 | 3 | 86.47 | 0 | 3 | 17 | 0 | |
NPC140751 | C10H8ClNO2 | 2-(7-chloroindol-1-yl)acetic acid | 209.0243562 | 0.3159 | 2.12 | 1.956 | 3 | 1 | 42.23 | 2 | 2 | 14 | 0 |
NPC146394 | C25H16N4O2 | 404.1273258 | -0.4644 | 3.55 | 4.816 | 4 | 2 | 92.02 | 2 | 6 | 31 | 0 | |
NPC147398 | C13H8N2O3 | 240.0534921 | -0.7001 | 2.34 | 2.865 | 4 | 2 | 83.31 | 1 | 3 | 18 | 0 | |
NPC1527 | C13H10N2O | 1-Methoxyphenazine | 210.08 | -0.0518 | 2.56 | 3.164 | 2 | 0 | 35.01 | 2 | 3 | 16 | 0 |
NPC157925 | C10H5Cl3N2O2 | 2,3-dichloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole | 289.9416604 | 2.262 | 1.79 | 3.346 | 1 | 1 | 58.93 | 2 | 2 | 17 | 0 |
NPC167647 | C15H12N2O3 | methyl 6-methoxyphenazine-1-carboxylate | 268.0847922 | -0.0406 | 2.56 | 2.722 | 4 | 0 | 61.31 | 3 | 3 | 20 | 0 |
NPC170656 | C16H14N2O4 | methyl 2,6-dimethoxyphenazine-1-carboxylate | 298.0953569 | -0.0924 | 2.56 | 2.832 | 4 | 0 | 70.54 | 4 | 3 | 22 | 0 |
NPC178218 | C13H8N2O4 | 256.0484067 | -1.1604 | 2.23 | 1.902 | 4 | 3 | 103.54 | 1 | 3 | 19 | 0 | |
NPC186994 | C15H12N2O3 | methyl 2-methoxyphenazine-1-carboxylate | 268.0847922 | -0.0406 | 2.56 | 3.276 | 4 | 0 | 61.31 | 3 | 3 | 20 | 0 |
NPC192698 | C19H18N2O7 | dimethyl 2,3,7-trimethoxyphenazine-1,6-dicarboxylate | 386.1114009 | -0.133 | 2.56 | 1.946 | 6 | 0 | 106.07 | 7 | 3 | 28 | 0 |
NPC209217 | C15H14N2O3 | 2,3,7-trimethoxyphenazine | 270.1004423 | -0.1554 | 2.56 | 2.276 | 2 | 0 | 53.47 | 3 | 3 | 20 | 0 |
NPC213345 | C10H8ClNO2 | 2-(7-chloro-1H-indol-3-yl)acetic acid | 209.0243562 | 0.1189 | 2.12 | 1.564 | 3 | 2 | 53.09 | 2 | 2 | 14 | 0 |
NPC219848 | C13H8N2O2 | Phenazine-1-Carboxylic Acid | 224.06 | -0.2398 | 2.45 | 2.845 | 4 | 1 | 63.08 | 2 | 3 | 17 | 0 |
NPC251949 | C16H12N2O4 | dimethyl phenazine-1,6-dicarboxylate | 296.0797069 | 0.0224 | 2.56 | 2.724 | 6 | 0 | 78.38 | 4 | 3 | 22 | 0 |
NPC256268 | C14H8N2O4 | 268.0484067 | -0.4796 | 2.34 | 2.082 | 6 | 2 | 100.38 | 4 | 3 | 20 | 0 | |
NPC258773 | C14H12N2O2 | 2,3-Dimethoxyphenazine | 240.09 | -0.1036 | 2.56 | 2.72 | 2 | 0 | 44.24 | 4 | 3 | 18 | 0 |
NPC261178 | C11H16O3 | 196.1099444 | -0.0092 | 2.34 | 2.719 | 3 | 1 | 46.53 | 4 | 1 | 14 | 0 | |
NPC26211 | C13H8N2O3 | 240.0534921 | -0.7001 | 2.34 | 1.882 | 4 | 2 | 83.31 | 1 | 3 | 18 | 0 | |
NPC265024 | C11H16O2 | (2R)-4-[(Z)-hex-1-enyl]-2-methyl-2H-furan-5-one | 180.1150298 | 0.3807 | 2.45 | 3.604 | 2 | 0 | 26.3 | 4 | 1 | 13 | 0 |
NPC271638 | C17H16N2O5 | methyl 2,3,4-trimethoxyphenazine-1-carboxylate | 328.1059216 | -0.1442 | 2.56 | 2.388 | 4 | 0 | 79.77 | 5 | 3 | 24 | 0 |
NPC285635 | C13H10N2O | 2-Methoxyphenazine | 210.08 | -0.0518 | 2.56 | 3.164 | 2 | 0 | 35.01 | 2 | 3 | 16 | 0 |
NPC287823 | C14H8N2O7 | 316.0331506 | -1.8605 | 2.01 | 1.034 | 6 | 5 | 161.07 | 2 | 3 | 23 | 0 | |
NPC288202 | C12H8N2O2 | 212.0585775 | -0.9206 | 2.34 | 2.111 | 2 | 2 | 66.24 | 0 | 3 | 16 | 0 | |
NPC289574 | C7H6ClNO2 | 2-amino-3-chlorobenzoic acid | 171.0087061 | -0.2454 | 1.79 | 1.528 | 3 | 2 | 63.32 | 1 | 1 | 11 | 0 |
NPC29128 | C16H14N2O4 | methyl 2,3-dimethoxyphenazine-1-carboxylate | 298.0953569 | -0.0924 | 2.56 | 2.832 | 4 | 0 | 70.54 | 4 | 3 | 22 | 0 |
NPC36168 | C12H8N2O | 196.0636629 | -0.4603 | 2.45 | 2.645 | 2 | 1 | 46.01 | 1 | 3 | 15 | 0 | |
NPC37802 | C17H28O2 | 264.2089301 | -2.7092 | 3.11 | 6.426 | 0 | 2 | 40.46 | 13 | 1 | 19 | 1 | |
NPC49561 | C10H5Cl2FN2O2 | 3-chloro-4-(3-chloro-4-fluoro-2-nitrophenyl)-1H-pyrrole | 273.971211 | 2.208 | 1.79 | 2.824 | 1 | 1 | 58.93 | 2 | 2 | 17 | 0 |
NPC59108 | C13H8N2O4 | 256.0484067 | -1.1604 | 2.23 | 2.331 | 4 | 3 | 103.54 | 1 | 3 | 19 | 0 | |
NPC59506 | C19H32O2 | 292.2402303 | -3.2852 | 3.33 | 7.564 | 0 | 2 | 40.46 | 11 | 1 | 21 | 2 | |
NPC71540 | C15H12N2O3 | methyl 4-methoxyphenazine-1-carboxylate | 268.0847922 | -0.0406 | 2.56 | 2.722 | 4 | 0 | 61.31 | 3 | 3 | 20 | 0 |
NPC88573 | C11H9ClN2O2 | 4-(2-amino-3-chlorophenyl)-1H-pyrrole-2-carboxylic acid | 236.0352552 | -0.6658 | 2.12 | -0.689 | 4 | 3 | 79.11 | 2 | 2 | 16 | 0 |
NPC99170 | C14H10N2O2 | methyl phenazine-1-carboxylate | 238.0742276 | 0.0112 | 2.56 | 3.166 | 4 | 0 | 52.08 | 2 | 3 | 18 | 0 |