Drug Information| Drug ID: | NPD9668 |
| Drug Name: | MTS-01 |
| Molecular Formula: | C9H18NO2 |
| Canonical SMILES: | OC1CC(C)(C)N(C(C1)(C)C)[O] |
| Standard InCHI: | InChI=1S/C9H18NO2/c1-8(2)5-7(11)6-9(3,4)10(8)12/h7,11H,5-6H2,1-4H3 |
| Standard InCHIKey: | UZFMOKQJFYMBGY-UHFFFAOYSA-N |
| Max Developmental Stage: | Phase 2 |
| Max Developmental Stage Source: | TTD |
Structural Similarity Between NPASS Natural Products and NPD9668Similarity 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 | 0.6441 | NPC277072 |
| Remote Similarity | 0.6441 | NPC178263 |
| Remote Similarity | 0.625 | NPC112398 |
| Remote Similarity | 0.619 | NPC233364 |
| Remote Similarity | 0.619 | NPC471421 |
| Remote Similarity | 0.6061 | NPC163134 |
| Remote Similarity | 0.6061 | NPC471419 |
| Remote Similarity | 0.6034 | NPC133178 |
| Remote Similarity | 0.5811 | NPC477002 |
| Remote Similarity | 0.5781 | NPC204709 |
| Remote Similarity | 0.5738 | NPC470664 |
| Remote Similarity | 0.5692 | NPC170172 |
| Remote Similarity | 0.5634 | NPC268922 |
| TTD | DIB013022 |
| DrugBank | |
| ChEMBL | |
| IUPHAR/BPS | |
| PharmaGKB | |
| KEGG Drug | |
| PubChem CID | |
| ChEBI | |
| CAS Number |
| Molecular Weight | 173.14 |
| ALogP | 0.7416 |
| MLogP | 2.12 |
| XLogP | 0.763 |
| HDA | 1 |
| HBD | 2 |
| Rotatable Bonds | 6 |
| TPSA | 43.7 |
| RO5 Violation | 0 |