Drug Information| Drug ID: | NPD325 |
| Drug Name: | Butabarbital |
| Molecular Formula: | C10H16N2O3 |
| Canonical SMILES: | CCC(C1(CC)C(=NC(=O)N=C1O)O)C |
| Standard InCHI: | InChI=1S/C10H16N2O3/c1-4-6(3)10(5-2)7(13)11-9(15)12-8(10)14/h6H,4-5H2,1-3H3,(H2,11,12,13,14,15) |
| Standard InCHIKey: | ZRIHAIZYIMGOAB-UHFFFAOYSA-N |
| Max Developmental Stage: | Approved |
| Max Developmental Stage Source: | TTD; ChEMBL; IUPHAR/BPS |
Structural Similarity Between NPASS Natural Products and NPD325Similarity 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 |
|---|---|---|
| Intermediate Similarity | 0.807 | NPC124849 |
| Intermediate Similarity | 0.807 | NPC21848 |
| Remote Similarity | 0.6981 | NPC87359 |
| Remote Similarity | 0.6981 | NPC180402 |
| Remote Similarity | 0.6786 | NPC137327 |
| Remote Similarity | 0.6034 | NPC471131 |
| Remote Similarity | 0.5965 | NPC21142 |
| Remote Similarity | 0.5965 | NPC80350 |
| Remote Similarity | 0.5714 | NPC472578 |
| Molecular Weight | 212.12 |
| ALogP | -1.2269 |
| MLogP | 2.01 |
| XLogP | 2.5 |
| HDA | 5 |
| HBD | 2 |
| Rotatable Bonds | 8 |
| TPSA | 82.25 |
| RO5 Violation | 0 |