Drug ID:   | NPD901 |
Drug Name:   | Etoglucid |
Molecular Formula:   | C12H22O6 |
Canonical SMILES:   | O(CCOCC1OC1)CCOCCOCC1OC1 |
Standard InCHI:   | InChI=1S/C12H22O6/c1(13-3-5-15-7-11-9-17-11)2-14-4-6-16-8-12-10-18-12/h11-12H,1-10H2 |
Standard InCHIKey:   | UMILHIMHKXVDGH-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 | 0.6765 | NPC281883 |
Remote Similarity | 0.625 | NPC230452 |
Remote Similarity | 0.625 | NPC329496 |
Remote Similarity | 0.6061 | NPC272307 |
Remote Similarity | 0.5882 | NPC238135 |
Remote Similarity | 0.5882 | NPC88135 |
Remote Similarity | 0.5862 | NPC43196 |
Remote Similarity | 0.5758 | NPC317724 |
Remote Similarity | 0.5667 | NPC61373 |
Remote Similarity | 0.5667 | NPC321400 |
Molecular Weight   | 262.14 |
ALogP   | -0.9094 |
MLogP   | 2.12 |
XLogP   | -1.276 |
HDA   | 6 |
HBD   | 0 |
Rotatable Bonds   | 13 |
TPSA   | 61.98 |
RO5 Violation   | 1 |