Drug Information| Drug ID: | NPD1107 |
| Drug Name: | Prilocaine Hydrochloride |
| Molecular Formula: | C13H20N2O.ClH |
| Canonical SMILES: | CCCNC(C(=Nc1ccccc1C)O)C.Cl |
| Standard InCHI: | "InChI=1S/C13H20N2O.ClH/c1-4-9-14-11(3)13(16)15-12-8-6-5-7-10(12)2;/h5-8,11,14H,4,9H2,1-3H3,(H,15,16);1H" |
| Standard InCHIKey: | BJPJNTKRKALCPP-UHFFFAOYSA-N |
| Max Developmental Stage: | Approved |
| Max Developmental Stage Source: | ChEMBL |
Structural Similarity Between NPASS Natural Products and NPD1107Similarity 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 | 0.561 | NPC78154 |
| TTD | |
| DrugBank | |
| ChEMBL | |
| IUPHAR/BPS | |
| PharmaGKB | |
| KEGG Drug | |
| PubChem CID | 0 |
| ChEBI | |
| CAS Number |
| Molecular Weight | 220.16 |
| ALogP | -0.1909 |
| MLogP | 2.56 |
| XLogP | 3.545 |
| HDA | 3 |
| HBD | 2 |
| Rotatable Bonds | 9 |
| TPSA | 44.62 |
| RO5 Violation | 0 |