Drug Information| Drug ID: | NPD1165 |
| Drug Name: | |
| Molecular Formula: | C13H8N2O3 |
| Canonical SMILES: | OC(=O)c1ccc2c(c1)c(=O)n1c(n2)cccc1 |
| Standard InCHI: | InChI=1S/C13H8N2O3/c16-12-9-7-8(13(17)18)4-5-10(9)14-11-3-1-2-6-15(11)12/h1-7H,(H,17,18) |
| Standard InCHIKey: | HMZDSBSMNLBGIW-UHFFFAOYSA-N |
| Max Developmental Stage: | Clinical (unspecified phase) |
| Max Developmental Stage Source: | TTD |
Structural Similarity Between NPASS Natural Products and NPD1165Similarity 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 | DIB011834 |
| DrugBank | |
| ChEMBL | |
| IUPHAR/BPS | |
| PharmaGKB | |
| KEGG Drug | |
| PubChem CID | |
| ChEBI | |
| CAS Number |
| Molecular Weight | 240.05 |
| ALogP | -0.532 |
| MLogP | 2.34 |
| XLogP | 1.162 |
| HDA | 5 |
| HBD | 1 |
| Rotatable Bonds | 2 |
| TPSA | 69.97 |
| RO5 Violation | 0 |