Drug Information| Drug ID: | NPD1108 |
| Drug Name: | Prilocaine |
| Molecular Formula: | C13H20N2O |
| Canonical SMILES: | CCCNC(C(=Nc1ccccc1C)O)C |
| Standard InCHI: | "InChI=1S/C13H20N2O/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)" |
| Standard InCHIKey: | MVFGUOIZUNYYSO-UHFFFAOYSA-N |
| Max Developmental Stage: | Phase 4 |
| Max Developmental Stage Source: | TTD; ChEMBL; IUPHAR/BPS |
Structural Similarity Between NPASS Natural Products and NPD1108Similarity 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 | 0.575 | NPC78154 |
| 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 |