Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO19048 | Pinellia ternata | Species | Araceae | Eukaryota | TCM_Taiwan* | |||
NPO3942 | Geranium pratense | Species | Geraniaceae | Eukaryota | TCM_Taiwan* | |||
NPO7103 | Allium sativum | Species | Amaryllidaceae | Eukaryota | TM-MC* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT368 | Cell Line | SN12C | Homo sapiens | GI50 | 5000345.35 | nM | PubChem BioAssay data set | |
NPT369 | Cell Line | ACHN | Homo sapiens | GI50 | 5000345.35 | nM | PubChem BioAssay data set | |
NPT370 | Cell Line | NCI-H23 | Homo sapiens | GI50 | 5000345.35 | nM | PubChem BioAssay data set | |
NPT371 | Cell Line | UO-31 | Homo sapiens | GI50 | 5000345.35 | nM | PubChem BioAssay data set | |
NPT372 | Cell Line | HOP-92 | Homo sapiens | GI50 | 5000345.35 | nM | PubChem BioAssay data set | |
NPT116 | Cell Line | HL-60 | Homo sapiens | GI50 | 5000345.35 | nM | PubChem BioAssay data set | |
NPT374 | Cell Line | SF-539 | Homo sapiens | GI50 | 5000345.35 | nM | PubChem BioAssay data set | |
NPT373 | Cell Line | SK-MEL-5 | Homo sapiens | GI50 | 5000345.35 | nM | PubChem BioAssay data set | |
NPT375 | Cell Line | Malme-3M | Homo sapiens | GI50 | 5000345.35 | nM | PubChem BioAssay data set | |
NPT376 | Cell Line | A498 | Homo sapiens | GI50 | 5000345.35 | nM | PubChem BioAssay data set | |
NPT111 | Cell Line | K562 | Homo sapiens | GI50 | 5000345.35 | nM | PubChem BioAssay data set | |
NPT377 | Cell Line | OVCAR-3 | Homo sapiens | GI50 | 5000345.35 | nM | PubChem BioAssay data set | |
NPT112 | Cell Line | MOLT-4 | Homo sapiens | GI50 | 5000345.35 | nM | PubChem BioAssay data set | |
NPT380 | Cell Line | U-251 | Homo sapiens | GI50 | 5000345.35 | nM | PubChem BioAssay data set | |
NPT382 | Cell Line | OVCAR-5 | Homo sapiens | GI50 | 5000345.35 | nM | PubChem BioAssay data set | |
NPT572 | Cell Line | DMS-273 | Homo sapiens | GI50 | 5000345.35 | nM | PubChem BioAssay data set | |
NPT385 | Cell Line | SR | Homo sapiens | GI50 | 5000345.35 | nM | PubChem BioAssay data set | |
NPT384 | Cell Line | TK-10 | Homo sapiens | GI50 | 5000345.35 | nM | PubChem BioAssay data set | |
NPT323 | Cell Line | SW-620 | Homo sapiens | GI50 | 5000345.35 | nM | PubChem BioAssay data set | |
NPT573 | Cell Line | M19-MEL | Homo sapiens | GI50 | 5000345.35 | nM | PubChem BioAssay data set | |
NPT455 | Cell Line | NCI-H522 | Homo sapiens | GI50 | 5000345.35 | nM | PubChem BioAssay data set | |
NPT386 | Cell Line | KM12 | Homo sapiens | GI50 | 5000345.35 | nM | PubChem BioAssay data set | |
NPT387 | Cell Line | M14 | Homo sapiens | GI50 | 5000345.35 | nM | PubChem BioAssay data set | |
NPT388 | Cell Line | NCI-H322M | Homo sapiens | GI50 | 1625548.76 | nM | PubChem BioAssay data set | |
NPT389 | Cell Line | RPMI-8226 | Homo sapiens | GI50 | 5000345.35 | nM | PubChem BioAssay data set | |
NPT456 | Cell Line | OVCAR-4 | Homo sapiens | GI50 | 5000345.35 | nM | PubChem BioAssay data set | |
NPT575 | Cell Line | KM-20L2 | Homo sapiens | GI50 | 5000345.35 | nM | PubChem BioAssay data set | |
NPT147 | Cell Line | SK-MEL-2 | Homo sapiens | GI50 | 5000345.35 | nM | PubChem BioAssay data set | |
NPT391 | Cell Line | HCC 2998 | Homo sapiens | GI50 | 5000345.35 | nM | PubChem BioAssay data set | |
NPT81 | Cell Line | A549 | Homo sapiens | GI50 | 2851018.27 | nM | PubChem BioAssay data set | |
NPT392 | Cell Line | SNB-75 | Homo sapiens | GI50 | 5000345.35 | nM | PubChem BioAssay data set | |
NPT148 | Cell Line | HCT-15 | Homo sapiens | GI50 | 5000345.35 | nM | PubChem BioAssay data set | |
NPT393 | Cell Line | HCT-116 | Homo sapiens | GI50 | 5000345.35 | nM | PubChem BioAssay data set | |
NPT394 | Cell Line | EKVX | Homo sapiens | GI50 | 5000345.35 | nM | PubChem BioAssay data set | |
NPT395 | Cell Line | SF-268 | Homo sapiens | GI50 | 5000345.35 | nM | PubChem BioAssay data set | |
NPT146 | Cell Line | SK-OV-3 | Homo sapiens | GI50 | 5000345.35 | nM | PubChem BioAssay data set | |
NPT731 | Cell Line | LXFL 529 | Homo sapiens | GI50 | 5000345.35 | nM | PubChem BioAssay data set | |
NPT576 | Cell Line | DMS-114 | Homo sapiens | GI50 | 5000345.35 | nM | PubChem BioAssay data set | |
NPT397 | Cell Line | NCI-H460 | Homo sapiens | GI50 | 5000345.35 | nM | PubChem BioAssay data set | |
NPT398 | Cell Line | UACC-62 | Homo sapiens | GI50 | 5000345.35 | nM | PubChem BioAssay data set | |
NPT458 | Cell Line | IGROV-1 | Homo sapiens | GI50 | 5000345.35 | nM | PubChem BioAssay data set | |
NPT399 | Cell Line | SF-295 | Homo sapiens | GI50 | 5000345.35 | nM | PubChem BioAssay data set | |
NPT401 | Cell Line | 786-0 | Homo sapiens | GI50 | 5000345.35 | nM | PubChem BioAssay data set | |
NPT403 | Cell Line | UACC-257 | Homo sapiens | GI50 | 5000345.35 | nM | PubChem BioAssay data set | |
NPT578 | Cell Line | SNB-78 | Homo sapiens | GI50 | 5000345.35 | nM | PubChem BioAssay data set | |
NPT579 | Cell Line | DLD-1 | Homo sapiens | GI50 | 5000345.35 | nM | PubChem BioAssay data set | |
NPT404 | Cell Line | CCRF-CEM | Homo sapiens | GI50 | 5000345.35 | nM | PubChem BioAssay data set | |
NPT139 | Cell Line | HT-29 | Homo sapiens | GI50 | 5000345.35 | nM | PubChem BioAssay data set | |
NPT405 | Cell Line | NCI-H226 | Homo sapiens | GI50 | 5000345.35 | nM | PubChem BioAssay data set | |
NPT170 | Cell Line | SK-MEL-28 | Homo sapiens | GI50 | 5000345.35 | nM | PubChem BioAssay data set | |
NPT406 | Cell Line | RXF 393 | Homo sapiens | GI50 | 5000345.35 | nM | PubChem BioAssay data set | |
NPT407 | Cell Line | COLO 205 | Homo sapiens | GI50 | 5000345.35 | nM | PubChem BioAssay data set | |
NPT732 | Cell Line | HOP-18 | Homo sapiens | GI50 | 5000345.35 | nM | PubChem BioAssay data set | |
NPT786 | Organism | Tobacco mosaic virus | Tobacco mosaic virus | Activity | = | 80 | % | 21314199 |
NPT786 | Organism | Tobacco mosaic virus | Tobacco mosaic virus | Activity | = | 46 | % | 21314199 |
NPT786 | Organism | Tobacco mosaic virus | Tobacco mosaic virus | Activity | = | 54 | % | 21314199 |
NPT786 | Organism | Tobacco mosaic virus | Tobacco mosaic virus | Activity | = | 72 | % | 21314199 |
NPT786 | Organism | Tobacco mosaic virus | Tobacco mosaic virus | Activity | = | 65 | % | 21314199 |
NPT786 | Organism | Tobacco mosaic virus | Tobacco mosaic virus | Activity | = | 0 | % | 21314199 |
NPT786 | Organism | Tobacco mosaic virus | Tobacco mosaic virus | Activity | = | 30 | % | 21314199 |
NPT786 | Organism | Tobacco mosaic virus | Tobacco mosaic virus | Activity | = | 50 | % | 21314199 |
NPT786 | Organism | Tobacco mosaic virus | Tobacco mosaic virus | Activity | = | 55 | % | 21314199 |
NPT786 | Organism | Tobacco mosaic virus | Tobacco mosaic virus | GI | = | 8 | % | 21314199 |
NPT786 | Organism | Tobacco mosaic virus | Tobacco mosaic virus | GI | = | 0 | % | 21314199 |
NPT786 | Organism | Tobacco mosaic virus | Tobacco mosaic virus | GI | = | 9 | % | 21314199 |
NPT786 | Organism | Tobacco mosaic virus | Tobacco mosaic virus | GI | = | 5 | % | 21314199 |
NPT786 | Organism | Tobacco mosaic virus | Tobacco mosaic virus | GI | = | 10 | % | 21314199 |
NPT786 | Organism | Tobacco mosaic virus | Tobacco mosaic virus | GI | = | 4 | % | 21314199 |
NPT786 | Organism | Tobacco mosaic virus | Tobacco mosaic virus | GI | = | 7 | % | 21314199 |
NPT635 | Organism | Botryotinia fuckeliana | Botryotinia fuckeliana | Inhibition | = | 40 | % | 10.1016/j.cropro.2009.03.014 |
NPT635 | Organism | Botryotinia fuckeliana | Botryotinia fuckeliana | Inhibition | = | 100 | % | 10.1016/j.cropro.2009.03.014 |
NPT816 | Individual Protein | GABA transporter 4 | Mus musculus | IC50 | = | 83176.38 | nM | 23770450 |
NPT815 | Individual Protein | GABA transporter 3 | Mus musculus | IC50 | = | 46773.51 | nM | 23770450 |
NPT814 | Individual Protein | GABA transporter 2 | Mus musculus | IC50 | = | 812830.52 | nM | 23770450 |
NPT813 | Individual Protein | GABA transporter 1 | Mus musculus | IC50 | = | 50118.72 | nM | 23770450 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient
●  The left chart: Distribution of similarity level between NPC66043 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).
Similarity Score | Similarity Level | Natural Product ID |
---|---|---|
0.8974 | High Similarity | NPC326992 |
0.8974 | High Similarity | NPC168375 |
0.8974 | High Similarity | NPC121517 |
0.8537 | High Similarity | NPC167986 |
0.8537 | High Similarity | NPC291186 |
0.8333 | Intermediate Similarity | NPC132307 |
0.8333 | Intermediate Similarity | NPC325097 |
0.8333 | Intermediate Similarity | NPC126925 |
0.814 | Intermediate Similarity | NPC208793 |
0.814 | Intermediate Similarity | NPC327698 |
0.814 | Intermediate Similarity | NPC285322 |
0.814 | Intermediate Similarity | NPC118459 |
0.8108 | Intermediate Similarity | NPC114517 |
0.8049 | Intermediate Similarity | NPC53449 |
0.8049 | Intermediate Similarity | NPC326212 |
0.8049 | Intermediate Similarity | NPC237525 |
0.8 | Intermediate Similarity | NPC18188 |
0.7949 | Intermediate Similarity | NPC272614 |
0.7949 | Intermediate Similarity | NPC21290 |
0.7949 | Intermediate Similarity | NPC116709 |
0.7778 | Intermediate Similarity | NPC136159 |
0.7727 | Intermediate Similarity | NPC329263 |
0.7609 | Intermediate Similarity | NPC153370 |
0.7556 | Intermediate Similarity | NPC49952 |
0.7556 | Intermediate Similarity | NPC136476 |
0.7556 | Intermediate Similarity | NPC309658 |
0.75 | Intermediate Similarity | NPC198301 |
0.7447 | Intermediate Similarity | NPC174246 |
0.7447 | Intermediate Similarity | NPC93888 |
0.7447 | Intermediate Similarity | NPC162620 |
0.7447 | Intermediate Similarity | NPC270805 |
0.7447 | Intermediate Similarity | NPC152451 |
0.7447 | Intermediate Similarity | NPC170739 |
0.7447 | Intermediate Similarity | NPC84636 |
0.7447 | Intermediate Similarity | NPC62045 |
0.7447 | Intermediate Similarity | NPC43204 |
0.7447 | Intermediate Similarity | NPC245027 |
0.7447 | Intermediate Similarity | NPC193989 |
0.7447 | Intermediate Similarity | NPC226027 |
0.7317 | Intermediate Similarity | NPC63621 |
0.7292 | Intermediate Similarity | NPC315977 |
0.7273 | Intermediate Similarity | NPC276294 |
0.7234 | Intermediate Similarity | NPC93081 |
0.7234 | Intermediate Similarity | NPC140872 |
0.7174 | Intermediate Similarity | NPC297220 |
0.7111 | Intermediate Similarity | NPC323974 |
0.7083 | Intermediate Similarity | NPC324825 |
0.7083 | Intermediate Similarity | NPC328378 |
0.7083 | Intermediate Similarity | NPC112890 |
0.7083 | Intermediate Similarity | NPC316231 |
0.7083 | Intermediate Similarity | NPC17244 |
0.7073 | Intermediate Similarity | NPC9294 |
0.7059 | Intermediate Similarity | NPC327831 |
0.7021 | Intermediate Similarity | NPC204364 |
0.7 | Intermediate Similarity | NPC317815 |
0.6939 | Remote Similarity | NPC273330 |
0.6939 | Remote Similarity | NPC137958 |
0.6939 | Remote Similarity | NPC125736 |
0.6875 | Remote Similarity | NPC227850 |
0.6863 | Remote Similarity | NPC316889 |
0.6863 | Remote Similarity | NPC321118 |
0.6863 | Remote Similarity | NPC60672 |
0.6863 | Remote Similarity | NPC322091 |
0.6809 | Remote Similarity | NPC198196 |
0.6809 | Remote Similarity | NPC213876 |
0.6809 | Remote Similarity | NPC185755 |
0.6731 | Remote Similarity | NPC102815 |
0.6731 | Remote Similarity | NPC2801 |
0.6667 | Remote Similarity | NPC316168 |
0.6667 | Remote Similarity | NPC190385 |
0.6667 | Remote Similarity | NPC326808 |
0.6667 | Remote Similarity | NPC219143 |
0.6667 | Remote Similarity | NPC110533 |
0.6667 | Remote Similarity | NPC181588 |
0.6667 | Remote Similarity | NPC254482 |
0.6667 | Remote Similarity | NPC317691 |
0.6667 | Remote Similarity | NPC197087 |
0.6667 | Remote Similarity | NPC190184 |
0.6667 | Remote Similarity | NPC226265 |
0.6604 | Remote Similarity | NPC38463 |
0.6538 | Remote Similarity | NPC183845 |
0.6538 | Remote Similarity | NPC279661 |
0.6531 | Remote Similarity | NPC327542 |
0.6486 | Remote Similarity | NPC149209 |
0.6481 | Remote Similarity | NPC278209 |
0.6471 | Remote Similarity | NPC200550 |
0.6471 | Remote Similarity | NPC155156 |
0.6415 | Remote Similarity | NPC10915 |
0.6364 | Remote Similarity | NPC176164 |
0.6364 | Remote Similarity | NPC112224 |
0.6364 | Remote Similarity | NPC43169 |
0.6364 | Remote Similarity | NPC189301 |
0.6364 | Remote Similarity | NPC327895 |
0.6364 | Remote Similarity | NPC93861 |
0.6327 | Remote Similarity | NPC101249 |
0.6316 | Remote Similarity | NPC322206 |
0.6296 | Remote Similarity | NPC325985 |
0.6275 | Remote Similarity | NPC114990 |
0.6275 | Remote Similarity | NPC50457 |
0.625 | Remote Similarity | NPC191136 |
0.625 | Remote Similarity | NPC317143 |
0.625 | Remote Similarity | NPC254541 |
0.625 | Remote Similarity | NPC316826 |
0.625 | Remote Similarity | NPC327748 |
0.625 | Remote Similarity | NPC321468 |
0.6182 | Remote Similarity | NPC318260 |
0.6182 | Remote Similarity | NPC317147 |
0.6154 | Remote Similarity | NPC126681 |
0.6154 | Remote Similarity | NPC202525 |
0.614 | Remote Similarity | NPC327170 |
0.614 | Remote Similarity | NPC321419 |
0.614 | Remote Similarity | NPC329564 |
0.6122 | Remote Similarity | NPC228932 |
0.6111 | Remote Similarity | NPC322573 |
0.6098 | Remote Similarity | NPC145217 |
0.6098 | Remote Similarity | NPC84444 |
0.6078 | Remote Similarity | NPC286989 |
0.6071 | Remote Similarity | NPC245346 |
0.6071 | Remote Similarity | NPC302003 |
0.6071 | Remote Similarity | NPC11433 |
0.6038 | Remote Similarity | NPC329495 |
0.6038 | Remote Similarity | NPC245768 |
0.6 | Remote Similarity | NPC104195 |
0.6 | Remote Similarity | NPC174368 |
0.6 | Remote Similarity | NPC151140 |
0.6 | Remote Similarity | NPC122768 |
0.6 | Remote Similarity | NPC118187 |
0.6 | Remote Similarity | NPC61066 |
0.5965 | Remote Similarity | NPC321536 |
0.5965 | Remote Similarity | NPC320598 |
0.5965 | Remote Similarity | NPC268927 |
0.5965 | Remote Similarity | NPC276928 |
0.5965 | Remote Similarity | NPC64250 |
0.5962 | Remote Similarity | NPC319175 |
0.5926 | Remote Similarity | NPC145235 |
0.5909 | Remote Similarity | NPC229838 |
0.5882 | Remote Similarity | NPC318523 |
0.5862 | Remote Similarity | NPC177191 |
0.5862 | Remote Similarity | NPC68974 |
0.5862 | Remote Similarity | NPC143722 |
0.5849 | Remote Similarity | NPC322946 |
0.5833 | Remote Similarity | NPC106216 |
0.5833 | Remote Similarity | NPC107645 |
0.5833 | Remote Similarity | NPC88898 |
0.58 | Remote Similarity | NPC248970 |
0.58 | Remote Similarity | NPC306238 |
0.5778 | Remote Similarity | NPC69179 |
0.5778 | Remote Similarity | NPC124886 |
0.5763 | Remote Similarity | NPC118429 |
0.5741 | Remote Similarity | NPC189178 |
0.5741 | Remote Similarity | NPC263065 |
0.5714 | Remote Similarity | NPC313263 |
0.5714 | Remote Similarity | NPC43264 |
0.5714 | Remote Similarity | NPC280532 |
0.5682 | Remote Similarity | NPC134570 |
0.5641 | Remote Similarity | NPC230726 |
0.5641 | Remote Similarity | NPC314668 |
0.5614 | Remote Similarity | NPC283786 |
0.5614 | Remote Similarity | NPC82239 |
0.561 | Remote Similarity | NPC292641 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC66043 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
Similarity Score | Similarity Level | Drug ID | Developmental Stage |
---|---|---|---|
0.8537 | High Similarity | NPD8805 | Approved |
0.8537 | High Similarity | NPD8804 | Approved |
0.8333 | Intermediate Similarity | NPD8798 | Approved |
0.814 | Intermediate Similarity | NPD8610 | Approved |
0.8 | Intermediate Similarity | NPD8623 | Phase 1 |
0.7949 | Intermediate Similarity | NPD8210 | Phase 3 |
0.7949 | Intermediate Similarity | NPD8211 | Approved |
0.7609 | Intermediate Similarity | NPD8614 | Approved |
0.7556 | Intermediate Similarity | NPD8801 | Approved |
0.7447 | Intermediate Similarity | NPD9018 | Approved |
0.7447 | Intermediate Similarity | NPD9016 | Clinical (unspecified phase) |
0.7447 | Intermediate Similarity | NPD8624 | Approved |
0.7447 | Intermediate Similarity | NPD9021 | Approved |
0.7447 | Intermediate Similarity | NPD8803 | Clinical (unspecified phase) |
0.7447 | Intermediate Similarity | NPD8802 | Approved |
0.7447 | Intermediate Similarity | NPD9017 | Approved |
0.7442 | Intermediate Similarity | NPD8609 | Approved |
0.7234 | Intermediate Similarity | NPD8808 | Approved |
0.7234 | Intermediate Similarity | NPD8809 | Approved |
0.7111 | Intermediate Similarity | NPD9019 | Approved |
0.7083 | Intermediate Similarity | NPD9044 | Approved |
0.7083 | Intermediate Similarity | NPD9230 | Discontinued |
0.6939 | Remote Similarity | NPD8871 | Approved |
0.6939 | Remote Similarity | NPD8872 | Phase 3 |
0.6809 | Remote Similarity | NPD8982 | Approved |
0.6809 | Remote Similarity | NPD9020 | Approved |
0.6667 | Remote Similarity | NPD8208 | Clinical (unspecified phase) |
0.6667 | Remote Similarity | NPD9023 | Clinical (unspecified phase) |
0.6667 | Remote Similarity | NPD8851 | Phase 1 |
0.6667 | Remote Similarity | NPD8217 | Clinical (unspecified phase) |
0.6667 | Remote Similarity | NPD8214 | Approved |
0.6667 | Remote Similarity | NPD8810 | Clinical (unspecified phase) |
0.6667 | Remote Similarity | NPD8849 | Clinical (unspecified phase) |
0.6667 | Remote Similarity | NPD8216 | Approved |
0.6667 | Remote Similarity | NPD8215 | Approved |
0.6667 | Remote Similarity | NPD8785 | Approved |
0.6667 | Remote Similarity | NPD8209 | Phase 2 |
0.6531 | Remote Similarity | NPD8873 | Approved |
0.6491 | Remote Similarity | NPD9676 | Phase 3 |
0.6415 | Remote Similarity | NPD8971 | Approved |
0.6364 | Remote Similarity | NPD9433 | Approved |
0.6327 | Remote Similarity | NPD8866 | Approved |
0.6327 | Remote Similarity | NPD8867 | Approved |
0.6275 | Remote Similarity | NPD9025 | Approved |
0.6154 | Remote Similarity | NPD7371 | Approved |
0.6078 | Remote Similarity | NPD8946 | Approved |
0.6078 | Remote Similarity | NPD8947 | Approved |
0.6071 | Remote Similarity | NPD8865 | Approved |
0.6066 | Remote Similarity | NPD1429 | Clinical (unspecified phase) |
0.6 | Remote Similarity | NPD8980 | Approved |
0.6 | Remote Similarity | NPD9454 | Approved |
0.6 | Remote Similarity | NPD8979 | Approved |
0.6 | Remote Similarity | NPD8981 | Clinical (unspecified phase) |
0.6 | Remote Similarity | NPD8850 | Approved |
0.5926 | Remote Similarity | NPD9419 | Clinical (unspecified phase) |
0.5918 | Remote Similarity | NPD9658 | Clinical (unspecified phase) |
0.5902 | Remote Similarity | NPD9201 | Clinical (unspecified phase) |
0.5849 | Remote Similarity | NPD9441 | Phase 2 |
0.5833 | Remote Similarity | NPD1151 | Approved |
0.58 | Remote Similarity | NPD8870 | Approved |
0.5763 | Remote Similarity | NPD9014 | Approved |
0.5741 | Remote Similarity | NPD9204 | Approved |
0.5741 | Remote Similarity | NPD9205 | Approved |
0.5692 | Remote Similarity | NPD5382 | Phase 2 |
0.5686 | Remote Similarity | NPD8972 | Approved |
0.5686 | Remote Similarity | NPD8973 | Approved |
0.5641 | Remote Similarity | NPD7367 | Approved |
0.5641 | Remote Similarity | NPD7368 | Approved |
0.5641 | Remote Similarity | NPD51 | Approved |
PubChem CID   | 25201443;10932 |
ChEMBL   | CHEMBL1995111 |
ZINC   |
Molecular Weight:   | 103.06 |
ALogP:   | -0.954 |
MLogP:   | 1.57 |
XLogP:   | -0.566 |
# Rotatable Bonds:   | 5 |
Polar Surface Area:   | 63.32 |
# H-Bond Aceptor:   | 3 |
# H-Bond Donor:   | 2 |
# Rings:   | 0 |
# Heavy Atoms:   | 7 |