Drug Information| Drug ID: | NPD1459 |
| Drug Name: | Suxamethonium |
| Molecular Formula: | C14H30N2O4 |
| Canonical SMILES: | O=C(OCC[N+](C)(C)C)CCC(=O)OCC[N+](C)(C)C |
| Standard InCHI: | "InChI=1S/C14H30N2O4/c1-15(2,3)9-11-19-13(17)7-8-14(18)20-12-10-16(4,5)6/h7-12H2,1-6H3/q+2" |
| Standard InCHIKey: | AXOIZCJOOAYSMI-UHFFFAOYSA-N |
| Max Developmental Stage: | Phase 4 |
| Max Developmental Stage Source: | TTD; ChEMBL; IUPHAR/BPS |
Structural Similarity Between NPASS Natural Products and NPD1459Similarity is measured using the Tanimoto coefficient (Tc) , which compares the binary fingerprints of two molecules. Tc is calculated as the intersection divided by the union of '1' bits in the fingerprints, ranging from 0 to 1, with 1 indicating highest similarity.
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.
Similar Natural Products High Similarity: Tc>=0.85; Intermediate Similarity: 0.7 <= Tc < 0.85; Remote Similarity: 0.5 <= Tc < 0.7
| Similarity Level | Similarity Score | Natural Product ID |
|---|---|---|
| Remote Similarity | 0.64 | NPC309862 |
| Remote Similarity | 0.64 | NPC611908 |
| Remote Similarity | 0.5938 | NPC597447 |
| Remote Similarity | 0.5333 | NPC195174 |
| Molecular Weight | 290.22 |
| ALogP | -2.3402 |
| MLogP | 2.34 |
| XLogP | -0.744 |
| HDA | 4 |
| HBD | 0 |
| Rotatable Bonds | 17 |
| TPSA | 52.6 |
| RO5 Violation | 1 |