Drug Information| Drug ID: | NPD9538 |
| Drug Name: | Phenacemide |
| Molecular Formula: | C9H10N2O2 |
| Canonical SMILES: | OC(=NC(=N)O)Cc1ccccc1 |
| Standard InCHI: | InChI=1S/C9H10N2O2/c10-9(13)11-8(12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,10,11,12,13) |
| Standard InCHIKey: | XPFRXWCVYUEORT-UHFFFAOYSA-N |
| Max Developmental Stage: | Approved |
| Max Developmental Stage Source: | TTD; ChEMBL; IUPHAR/BPS |
Structural Similarity Between NPASS Natural Products and NPD9538Similarity 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 | 178.07 |
| ALogP | -0.2562 |
| MLogP | 2.01 |
| XLogP | 2.978 |
| HDA | 4 |
| HBD | 3 |
| Rotatable Bonds | 5 |
| TPSA | 76.67 |
| RO5 Violation | 0 |