Drug Information| Drug ID: | NPD273 |
| Drug Name: | Aprobarbital |
| Molecular Formula: | C10H14N2O3 |
| Canonical SMILES: | C=CCC1(C(C)C)C(=NC(=O)N=C1O)O |
| Standard InCHI: | InChI=1S/C10H14N2O3/c1-4-5-10(6(2)3)7(13)11-9(15)12-8(10)14/h4,6H,1,5H2,2-3H3,(H2,11,12,13,14,15) |
| Standard InCHIKey: | UORJNBVJVRLXMQ-UHFFFAOYSA-N |
| Max Developmental Stage: | Approved |
| Max Developmental Stage Source: | TTD; DrugBank |
Structural Similarity Between NPASS Natural Products and NPD273Similarity 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 | 0.9123 | NPC124849 |
| High Similarity | 0.9123 | NPC21848 |
| Remote Similarity | 0.5823 | NPC471597 |
| Remote Similarity | 0.5802 | NPC224072 |
| Remote Similarity | 0.5738 | NPC87359 |
| Remote Similarity | 0.5738 | NPC180402 |
| Remote Similarity | 0.5625 | NPC137327 |
| TTD | DAP001034 |
| DrugBank | DB01352 |
| ChEMBL | CHEMBL7863 |
| IUPHAR/BPS | |
| PharmaGKB | PA164754809 |
| KEGG Drug | D00698 |
| PubChem CID | 6464 |
| ChEBI | 2791 |
| CAS Number | 77-02-1 |
| Molecular Weight | 210.10 |
| ALogP | 0.1711 |
| MLogP | 2.01 |
| XLogP | 2.134 |
| HDA | 5 |
| HBD | 2 |
| Rotatable Bonds | 7 |
| TPSA | 82.25 |
| RO5 Violation | 0 |