Drug Information| Drug ID: | NPD2199 |
| Drug Name: | Hexylcaine |
| Molecular Formula: | C16H23NO2 |
| Canonical SMILES: | CC(OC(=O)c1ccccc1)CNC1CCCCC1 |
| Standard InCHI: | InChI=1S/C16H23NO2/c1-13(12-17-15-10-6-3-7-11-15)19-16(18)14-8-4-2-5-9-14/h2,4-5,8-9,13,15,17H,3,6-7,10-12H2,1H3 |
| Standard InCHIKey: | DKLKMKYDWHYZTD-UHFFFAOYSA-N |
| Max Developmental Stage: | Approved |
| Max Developmental Stage Source: | TTD; ChEMBL; IUPHAR/BPS |
Structural Similarity Between NPASS Natural Products and NPD2199Similarity 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
| TTD | DAP000506 |
| DrugBank | DB00473 |
| ChEMBL | CHEMBL1197 |
| IUPHAR/BPS | 7196 |
| PharmaGKB | PA164746489 |
| KEGG Drug | |
| PubChem CID | 10770 |
| ChEBI | 34791 |
| CAS Number | 532-77-4 |
| Molecular Weight | 261.17 |
| ALogP | -1.9894 |
| MLogP | 2.89 |
| XLogP | 4.889 |
| HDA | 3 |
| HBD | 1 |
| Rotatable Bonds | 7 |
| TPSA | 38.33 |
| RO5 Violation | 0 |