Drug Information| Drug ID: | NPD8789 |
| Drug Name: | Mechlorethamine Hydrochloride |
| Molecular Formula: | C5H11Cl2N.ClH |
| Canonical SMILES: | ClCCN(CCCl)C.Cl |
| Standard InCHI: | InChI=1S/C5H11Cl2N.ClH/c1-8(4-2-6)5-3-7;/h2-5H2,1H3;1H |
| Standard InCHIKey: | QZIQJVCYUQZDIR-UHFFFAOYSA-N |
| Max Developmental Stage: | Approved |
| Max Developmental Stage Source: | ChEMBL |
Structural Similarity Between NPASS Natural Products and NPD8789Similarity 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.
Similar Natural Products 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 | 0.6538 | NPC258096 |
| Remote Similarity | 0.5926 | NPC329501 |
| Remote Similarity | 0.5667 | NPC263968 |