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 NPC89769 and all remaining natural products in the NPASS database.
● The right table: Most similar natural products (Tc>=0.56 or Top200).
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
● The left chart: Distribution of similarity level between NPC89769 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
PubChem CID | 3048356 |
ChEMBL | CHEMBL94350 |
ZINC |
Molecular Weight: | 321.21 |
ALogP: | 0.5049 |
MLogP: | 3.66 |
XLogP: | 6.578 |
# Rotatable Bonds: | 6 |
Polar Surface Area: | 23.47 |
# H-Bond Aceptor: | 1 |
# H-Bond Donor: | 1 |
# Rings: | 4 |
# Heavy Atoms: | 24 |