Drug Information| Drug ID: | NPD2039 |
| Drug Name: | Nomifensine |
| Molecular Formula: | C16H18N2 |
| Canonical SMILES: | CN1CC(c2ccccc2)c2c(C1)c(N)ccc2 |
| Standard InCHI: | InChI=1S/C16H18N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11,17H2,1H3 |
| Standard InCHIKey: | XXPANQJNYNUNES-UHFFFAOYSA-N |
| Max Developmental Stage: | Approved |
| Max Developmental Stage Source: | TTD; ChEMBL; IUPHAR/BPS |
Structural Similarity Between NPASS Natural Products and NPD2039Similarity 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
| Molecular Weight | 238.15 |
| ALogP | -0.6455 |
| MLogP | 3 |
| XLogP | 4.56 |
| HDA | 2 |
| HBD | 1 |
| Rotatable Bonds | 3 |
| TPSA | 29.26 |
| RO5 Violation | 0 |