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 NPC176017 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 NPC176017 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
PubChem CID | 6036 |
ChEMBL | CHEMBL195923 |
ZINC |
Molecular Weight: | 180.06 |
ALogP: | -2.5134 |
MLogP: | 1.46 |
XLogP: | -1.697 |
# Rotatable Bonds: | 6 |
Polar Surface Area: | 110.38 |
# H-Bond Aceptor: | 6 |
# H-Bond Donor: | 5 |
# Rings: | 1 |
# Heavy Atoms: | 12 |