Drug ID:   | NPD9511 |
Drug Name:   | Clavulanate Potassium |
Molecular Formula:   | C8H9NO5.K |
Canonical SMILES:   | [O-]C(=O)[C@@H]1N2[C@H](O/C/1=CCO)CC2=O.[K+] |
Standard InCHI:   | InChI=1S/C8H9NO5.K/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4;/h1,6-7,10H,2-3H2,(H,12,13);/q;+1/p-1/b4-1-;/t6-,7-;/m1./s1 |
Standard InCHIKey:   | ABVRVIZBZKUTMK-JSYANWSFSA-M |
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 |
---|---|---|
High Similarity | 0.9873 | NPC264014 |
Remote Similarity | 0.6602 | NPC188785 |
Remote Similarity | 0.6111 | NPC326126 |
Remote Similarity | 0.5865 | NPC313265 |
Remote Similarity | 0.5727 | NPC6271 |
Remote Similarity | 0.5727 | NPC173690 |
Remote Similarity | 0.5727 | NPC80439 |
Remote Similarity | 0.5727 | NPC279833 |
Remote Similarity | 0.5714 | NPC97614 |
Remote Similarity | 0.5676 | NPC64168 |
Remote Similarity | 0.56 | NPC475975 |
Molecular Weight   | 198.04 |
ALogP   | -2.1243 |
MLogP   | 1.68 |
XLogP   | -2 |
HDA   | 6 |
HBD   | 1 |
Rotatable Bonds   | 4 |
TPSA   | 89.9 |
RO5 Violation   | 0 |