Drug Information| Drug ID: | NPD7355 |
| Drug Name: | Chloral Hydrate |
| Molecular Formula: | C2H3Cl3O2 |
| Canonical SMILES: | OC(C(Cl)(Cl)Cl)O |
| Standard InCHI: | InChI=1S/C2H3Cl3O2/c3-2(4,5)1(6)7/h1,6-7H |
| Standard InCHIKey: | RNFNDJAIBTYOQL-UHFFFAOYSA-N |
| Max Developmental Stage: | Approved |
| Max Developmental Stage Source: | ChEMBL |
Structural Similarity Between NPASS Natural Products and NPD7355Similarity 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 |
|---|---|---|
| High Similarity | 1.0 | NPC321100 |
| Intermediate Similarity | 0.8182 | NPC254757 |
| Remote Similarity | 0.5862 | NPC278758 |
| Molecular Weight | 163.92 |
| ALogP | 0.8998 |
| MLogP | 1.13 |
| XLogP | 0.802 |
| HDA | 2 |
| HBD | 2 |
| Rotatable Bonds | 6 |
| TPSA | 40.46 |
| RO5 Violation | 0 |