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 NPC105991 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 |
---|---|---|
0.8649 | High Similarity | NPC8981 |
0.8267 | Intermediate Similarity | NPC299367 |
0.7945 | Intermediate Similarity | NPC470796 |
0.7821 | Intermediate Similarity | NPC195713 |
0.775 | Intermediate Similarity | NPC472169 |
0.7412 | Intermediate Similarity | NPC2751 |
0.7333 | Intermediate Similarity | NPC470795 |
0.7317 | Intermediate Similarity | NPC307163 |
0.7284 | Intermediate Similarity | NPC471376 |
0.7222 | Intermediate Similarity | NPC22627 |
0.7126 | Intermediate Similarity | NPC166487 |
0.7108 | Intermediate Similarity | NPC471895 |
0.7077 | Intermediate Similarity | NPC108375 |
0.6912 | Remote Similarity | NPC476214 |
0.6889 | Remote Similarity | NPC300455 |
0.686 | Remote Similarity | NPC148231 |
0.6848 | Remote Similarity | NPC474934 |
0.6761 | Remote Similarity | NPC469807 |
0.6739 | Remote Similarity | NPC175376 |
0.6628 | Remote Similarity | NPC470794 |
0.6562 | Remote Similarity | NPC475115 |
0.6421 | Remote Similarity | NPC120203 |
0.6392 | Remote Similarity | NPC472171 |
0.6329 | Remote Similarity | NPC5324 |
0.6327 | Remote Similarity | NPC472172 |
0.63 | Remote Similarity | NPC475086 |
0.6289 | Remote Similarity | NPC11466 |
0.6263 | Remote Similarity | NPC472170 |
0.6224 | Remote Similarity | NPC24122 |
0.6224 | Remote Similarity | NPC173019 |
0.6076 | Remote Similarity | NPC52330 |
0.6022 | Remote Similarity | NPC470797 |
0.5962 | Remote Similarity | NPC190955 |
0.593 | Remote Similarity | NPC67863 |
0.5921 | Remote Similarity | NPC169110 |
0.5844 | Remote Similarity | NPC45255 |
0.5833 | Remote Similarity | NPC32356 |
0.5778 | Remote Similarity | NPC125549 |
0.575 | Remote Similarity | NPC36440 |
0.5714 | Remote Similarity | NPC212463 |
0.5688 | Remote Similarity | NPC221877 |
0.5652 | Remote Similarity | NPC11150 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC105991 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 |
---|---|---|---|
0.6739 | Remote Similarity | NPD532 | Approved |
0.6667 | Remote Similarity | NPD1672 | Phase 2 |
0.6327 | Remote Similarity | NPD793 | Approved |
0.62 | Remote Similarity | NPD745 | Clinical (unspecified phase) |
0.6139 | Remote Similarity | NPD3459 | Approved |
0.6139 | Remote Similarity | NPD183 | Approved |
0.6019 | Remote Similarity | NPD2242 | Phase 1 |
0.5962 | Remote Similarity | NPD5278 | Discontinued |
0.5922 | Remote Similarity | NPD445 | Discontinued |
0.5851 | Remote Similarity | NPD4728 | Approved |
0.581 | Remote Similarity | NPD2298 | Clinical (unspecified phase) |
0.5794 | Remote Similarity | NPD1279 | Clinical (unspecified phase) |
0.578 | Remote Similarity | NPD1944 | Phase 2 |
0.5741 | Remote Similarity | NPD1280 | Clinical (unspecified phase) |
0.5741 | Remote Similarity | NPD2587 | Approved |
0.5684 | Remote Similarity | NPD2811 | Clinical (unspecified phase) |
0.5648 | Remote Similarity | NPD1265 | Approved |
0.5648 | Remote Similarity | NPD1267 | Approved |
0.5604 | Remote Similarity | NPD9303 | Approved |
PubChem CID   | 16083186 |
ChEMBL   | CHEMBL453761 |
ZINC   |
Molecular Weight:   | 172.03 |
ALogP:   | 2.6787 |
MLogP:   | 2.56 |
XLogP:   | 4.525 |
# Rotatable Bonds:   | 1 |
Polar Surface Area:   | 28.24 |
# H-Bond Aceptor:   | 0 |
# H-Bond Donor:   | 0 |
# Rings:   | 1 |
# Heavy Atoms:   | 12 |