Drug Information| Drug ID: | NPD793 |
| Drug Name: | |
| Molecular Formula: | C12H16N2S |
| Canonical SMILES: | CN1CCCN=C1/C=C/c1sccc1C |
| Standard InCHI: | InChI=1S/C12H16N2S/c1-10-6-9-15-11(10)4-5-12-13-7-3-8-14(12)2/h4-6,9H,3,7-8H2,1-2H3/b5-4+ |
| Standard InCHIKey: | NVEPPWDVLBMNMB-SNAWJCMRSA-N |
| Max Developmental Stage: | Approved |
| Max Developmental Stage Source: | TTD |
Structural Similarity Between NPASS Natural Products and NPD793Similarity 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 | 0.7212 | NPC166487 |
| Intermediate Similarity | 0.717 | NPC300455 |
| Remote Similarity | 0.6786 | NPC11466 |
| Remote Similarity | 0.6607 | NPC120203 |
| Remote Similarity | 0.6505 | NPC471376 |
| Remote Similarity | 0.6466 | NPC469974 |
| Remote Similarity | 0.6333 | NPC190955 |
| Remote Similarity | 0.6327 | NPC105991 |
| Remote Similarity | 0.6116 | NPC164802 |
| Remote Similarity | 0.61 | NPC470796 |
| Remote Similarity | 0.6098 | NPC475013 |
| Remote Similarity | 0.6 | NPC476048 |
| Remote Similarity | 0.5965 | NPC7067 |
| Remote Similarity | 0.5909 | NPC148231 |
| Remote Similarity | 0.5842 | NPC470795 |
| Remote Similarity | 0.5826 | NPC469330 |
| Remote Similarity | 0.5739 | NPC473661 |
| Remote Similarity | 0.5726 | NPC317400 |
| Remote Similarity | 0.5701 | NPC8981 |
| Remote Similarity | 0.5648 | NPC195713 |