Drug Information| Drug ID: | NPD8873 |
| Drug Name: | Carbocysteine |
| Molecular Formula: | C5H9NO4S |
| Canonical SMILES: | OC(=O)CSC[C@@H](C(=O)O)N |
| Standard InCHI: | "InChI=1S/C5H9NO4S/c6-3(5(9)10)1-11-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1" |
| Standard InCHIKey: | GBFLZEXEOZUWRN-VKHMYHEASA-N |
| Max Developmental Stage: | Phase 4 |
| Max Developmental Stage Source: | ChEMBL |
Structural Similarity Between NPASS Natural Products and NPD8873Similarity is measured using the Tanimoto coefficient (Tc) , which compares the binary fingerprints of two molecules. Tc is calculated as the intersection divided by the union of '1' bits in the fingerprints, ranging from 0 to 1, with 1 indicating highest similarity.
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.
Similar Natural Products High Similarity: Tc>=0.85; Intermediate Similarity: 0.7 <= Tc < 0.85; Remote Similarity: 0.5 <= Tc < 0.7
| Similarity Level | Similarity Score | Natural Product ID |
|---|---|---|
| Remote Similarity | 0.625 | NPC302632 |
| Remote Similarity | 0.625 | NPC204364 |
| Remote Similarity | 0.625 | NPC602606 |
| Remote Similarity | 0.6071 | NPC214171 |
| Remote Similarity | 0.5556 | NPC228011 |
| Remote Similarity | 0.5357 | NPC114990 |
| Remote Similarity | 0.5357 | NPC546066 |
| Remote Similarity | 0.52 | NPC602889 |
| Remote Similarity | 0.5172 | NPC181588 |
| Remote Similarity | 0.5172 | NPC326206 |
| Remote Similarity | 0.5172 | NPC286989 |
| Remote Similarity | 0.5172 | NPC507748 |
| Remote Similarity | 0.5172 | NPC601180 |
| Remote Similarity | 0.5172 | NPC608503 |
| Molecular Weight | 179.03 |
| ALogP | -0.9862 |
| MLogP | 1.35 |
| XLogP | -3.094 |
| HDA | 5 |
| HBD | 3 |
| Rotatable Bonds | 8 |
| TPSA | 125.92 |
| RO5 Violation | 0 |