Drug ID:   | NPD413 |
Drug Name:   | Pemirolast Potassium |
Molecular Formula:   | C10H7N6O.K |
Canonical SMILES:   | Cc1cccn2c1ncc(c2=O)C1=NN=[N-]=N1.[K+] |
Standard InCHI:   | InChI=1S/C10H7N6O.K/c1-6-3-2-4-16-9(6)11-5-7(10(16)17)8-12-14-15-13-8;/h2-5H,1H3;/q-1;+1 |
Standard InCHIKey:   | NMMVKSMGBDRONO-UHFFFAOYSA-N |
Max Developmental Stage:   | Approved |
Max Developmental Stage Source:   | ChEMBL |
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
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.
High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7
Similarity Level | Similarity Score | Natural Product ID |
---|---|---|
Remote Similarity | 0.5714 | NPC201332 |
Molecular Weight   | 266.03 |
ALogP   | |
MLogP   | 1.68 |
XLogP   | |
HDA   | 7 |
HBD   | 0 |
Rotatable Bonds   | 2 |
TPSA   | 69.75 |
RO5 Violation   | 0 |