Drug Information| Drug ID: | NPD9394 |
| Drug Name: | |
| Molecular Formula: | C8H12N2 |
| Canonical SMILES: | Cc1nc(C)c(nc1C)C |
| Standard InCHI: | InChI=1S/C8H12N2/c1-5-6(2)10-8(4)7(3)9-5/h1-4H3 |
| Standard InCHIKey: | FINHMKGKINIASC-UHFFFAOYSA-N |
| Max Developmental Stage: | Clinical (unspecified phase) |
| Max Developmental Stage Source: | TTD |
Structural Similarity Between NPASS Natural Products and NPD9394Similarity 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
| Similarity Level | Similarity Score | Natural Product ID |
|---|---|---|
| High Similarity | 1.0 | NPC229 |
| High Similarity | 1.0 | NPC284039 |
| Intermediate Similarity | 0.7714 | NPC270637 |
| Intermediate Similarity | 0.7571 | NPC204104 |
| Intermediate Similarity | 0.7324 | NPC100312 |
| Remote Similarity | 0.679 | NPC277608 |
| Remote Similarity | 0.679 | NPC262236 |
| Remote Similarity | 0.675 | NPC76536 |
| TTD | DIB012809 |
| DrugBank | |
| ChEMBL | |
| IUPHAR/BPS | |
| PharmaGKB | |
| KEGG Drug | |
| PubChem CID | |
| ChEBI | |
| CAS Number |
| Molecular Weight | 136.10 |
| ALogP | 1.758 |
| MLogP | 2.12 |
| XLogP | 1.992 |
| HDA | 2 |
| HBD | 0 |
| Rotatable Bonds | 4 |
| TPSA | 25.78 |
| RO5 Violation | 0 |