Drug Information| Drug ID: | NPD9042 |
| Drug Name: | Carbachol |
| Molecular Formula: | C6H14N2O2.ClH |
| Canonical SMILES: | [O-]C(=N)OCC[N+](C)(C)C.Cl |
| Standard InCHI: | InChI=1S/C6H14N2O2.ClH/c1-8(2,3)4-5-10-6(7)9;/h4-5H2,1-3H3,(H-,7,9);1H |
| Standard InCHIKey: | AIXAANGOTKPUOY-UHFFFAOYSA-N |
| Max Developmental Stage: | Approved |
| Max Developmental Stage Source: | ChEMBL |
Structural Similarity Between NPASS Natural Products and NPD9042Similarity 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 | 0.6923 | NPC1591 |
| Remote Similarity | 0.6486 | NPC325909 |
| Remote Similarity | 0.6389 | NPC136014 |
| Remote Similarity | 0.6 | NPC51414 |
| Remote Similarity | 0.6 | NPC328729 |
| Remote Similarity | 0.5897 | NPC59650 |
| Remote Similarity | 0.5833 | NPC314598 |
| Remote Similarity | 0.5833 | NPC182969 |
| Remote Similarity | 0.5625 | NPC195448 |
| Molecular Weight | 146.11 |
| ALogP | -1.3224 |
| MLogP | 1.68 |
| XLogP | 0.159 |
| HDA | 3 |
| HBD | 1 |
| Rotatable Bonds | 8 |
| TPSA | 56.14 |
| RO5 Violation | 0 |