Drug Information| Drug ID: | NPD8584 |
| Drug Name: | Methimazole |
| Molecular Formula: | C4H6N2S |
| Canonical SMILES: | Cn1ccnc1S |
| Standard InCHI: | InChI=1S/C4H6N2S/c1-6-3-2-5-4(6)7/h2-3H,1H3,(H,5,7) |
| Standard InCHIKey: | PMRYVIKBURPHAH-UHFFFAOYSA-N |
| Max Developmental Stage: | Approved |
| Max Developmental Stage Source: | TTD; ChEMBL; IUPHAR/BPS |
Structural Similarity Between NPASS Natural Products and NPD8584Similarity 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 |
|---|---|---|
| Intermediate Similarity | 0.7711 | NPC237936 |
| Remote Similarity | 0.6923 | NPC190949 |
| Remote Similarity | 0.6768 | NPC332382 |
| Remote Similarity | 0.6701 | NPC9639 |
| Remote Similarity | 0.67 | NPC326248 |
| Remote Similarity | 0.67 | NPC187191 |
| Remote Similarity | 0.6471 | NPC273327 |
| Remote Similarity | 0.6286 | NPC155498 |
| Remote Similarity | 0.6139 | NPC476128 |
| Remote Similarity | 0.6095 | NPC111132 |
| Remote Similarity | 0.6076 | NPC158948 |
| Remote Similarity | 0.5833 | NPC222061 |
| Remote Similarity | 0.5758 | NPC326364 |
| Remote Similarity | 0.5631 | NPC51000 |
| Remote Similarity | 0.5614 | NPC327613 |
| TTD | DNC001429; DAP000763; DCL000990 |
| DrugBank | DB00763 |
| ChEMBL | CHEMBL1515 |
| IUPHAR/BPS | 6649 |
| PharmaGKB | PA450422 |
| KEGG Drug | D00401 |
| PubChem CID | 1349907 |
| ChEBI | 50673 |
| CAS Number | 60-56-0 |
| Molecular Weight | 114.03 |
| ALogP | 0.6265 |
| MLogP | 1.57 |
| XLogP | 0.553 |
| HDA | 2 |
| HBD | 0 |
| Rotatable Bonds | 2 |
| TPSA | 56.62 |
| RO5 Violation | 0 |