Drug Information| Drug ID: | NPD8792 |
| Drug Name: | Chlormerodrin |
| Molecular Formula: | C5H11N2O2.ClH.Hg |
| Canonical SMILES: | [O-]C(=N)NCC(OC)[CH2].Cl.[Hg+] |
| Standard InCHI: | InChI=1S/C5H11N2O2.ClH.Hg/c1-4(9-2)3-7-5(6)8;;/h4H,1,3H2,2H3,(H3,6,7,8);1H;/q;;+1/p-1 |
| Standard InCHIKey: | BJFGVYCULWBXKF-UHFFFAOYSA-M |
| Max Developmental Stage: | Approved |
| Max Developmental Stage Source: | DrugBank |
Structural Similarity Between NPASS Natural Products and NPD8792Similarity 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 |
|---|---|---|
| Remote Similarity | 0.6346 | NPC182969 |
| Remote Similarity | 0.6346 | NPC314598 |
| Remote Similarity | 0.6087 | NPC163099 |
| Remote Similarity | 0.5942 | NPC474467 |
| Remote Similarity | 0.5893 | NPC202525 |
| Remote Similarity | 0.587 | NPC328729 |
| Remote Similarity | 0.5862 | NPC10915 |
| Remote Similarity | 0.5849 | NPC141953 |
| Remote Similarity | 0.5849 | NPC153556 |
| Remote Similarity | 0.5745 | NPC14922 |
| Remote Similarity | 0.5714 | NPC270319 |
| Remote Similarity | 0.56 | NPC240230 |
| TTD | DAP000754 |
| DrugBank | DB00534 |
| ChEMBL | |
| IUPHAR/BPS | |
| PharmaGKB | PA164748977 |
| KEGG Drug | |
| PubChem CID | |
| ChEBI | 59445 |
| CAS Number | 62-37-3 |
| Molecular Weight | 131.08 |
| ALogP | -0.7916 |
| MLogP | 1.57 |
| XLogP | 0.498 |
| HDA | 4 |
| HBD | 2 |
| Rotatable Bonds | 7 |
| TPSA | 68.17 |
| RO5 Violation | 0 |