Drug Information| Drug ID: | NPD745 |
| Drug Name: | |
| Molecular Formula: | C12H13NO3S3 |
| Canonical SMILES: | O=C1SCCC1N=C(C(SC(=O)c1cccs1)C)O |
| Standard InCHI: | InChI=1S/C12H13NO3S3/c1-7(19-12(16)9-3-2-5-17-9)10(14)13-8-4-6-18-11(8)15/h2-3,5,7-8H,4,6H2,1H3,(H,13,14) |
| Standard InCHIKey: | MKTVMEMIKNBVHI-UHFFFAOYSA-N |
| Max Developmental Stage: | Clinical (unspecified phase) |
| Max Developmental Stage Source: | TTD |
Structural Similarity Between NPASS Natural Products and NPD745Similarity 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 | 0.7404 | NPC166487 |
| Intermediate Similarity | 0.74 | NPC307163 |
| Intermediate Similarity | 0.7383 | NPC175376 |
| Intermediate Similarity | 0.7228 | NPC471895 |
| Intermediate Similarity | 0.7196 | NPC300455 |
| Intermediate Similarity | 0.7069 | NPC190955 |
| Remote Similarity | 0.699 | NPC470794 |
| Remote Similarity | 0.6903 | NPC24122 |
| Remote Similarity | 0.6759 | NPC470797 |
| Remote Similarity | 0.6699 | NPC471376 |
| Remote Similarity | 0.6637 | NPC120203 |
| Remote Similarity | 0.6522 | NPC11466 |
| Remote Similarity | 0.625 | NPC299367 |
| Remote Similarity | 0.62 | NPC105991 |
| Remote Similarity | 0.6111 | NPC472169 |
| Remote Similarity | 0.609 | NPC475082 |
| Remote Similarity | 0.6038 | NPC8981 |
| Remote Similarity | 0.5981 | NPC195713 |
| Remote Similarity | 0.598 | NPC470796 |
| Remote Similarity | 0.5789 | NPC2751 |
| Remote Similarity | 0.5785 | NPC173019 |
| Remote Similarity | 0.5674 | NPC130655 |
| Remote Similarity | 0.5625 | NPC89489 |
| Remote Similarity | 0.5619 | NPC327330 |