Drug Information| Drug ID: | NPD1146 |
| Drug Name: | OT-551 |
| Molecular Formula: | C13H23NO3 |
| Canonical SMILES: | ON1C(C)(C)CC(CC1(C)C)OC(=O)C1CC1 |
| Standard InCHI: | InChI=1S/C13H23NO3/c1-12(2)7-10(8-13(3,4)14(12)16)17-11(15)9-5-6-9/h9-10,16H,5-8H2,1-4H3 |
| Standard InCHIKey: | ZWEXEKJLDHNLLA-UHFFFAOYSA-N |
| Max Developmental Stage: | Phase 2 |
| Max Developmental Stage Source: | TTD |
Structural Similarity Between NPASS Natural Products and NPD1146Similarity 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 | 0.6324 | NPC319991 |
| Remote Similarity | 0.619 | NPC133178 |
| Remote Similarity | 0.5882 | NPC277918 |
| Remote Similarity | 0.5802 | NPC233108 |
| Remote Similarity | 0.5775 | NPC471129 |
| TTD | DIB005485 |
| DrugBank | |
| ChEMBL | |
| IUPHAR/BPS | |
| PharmaGKB | |
| KEGG Drug | |
| PubChem CID | |
| ChEBI | |
| CAS Number |
| Molecular Weight | 241.17 |
| ALogP | 1.4773 |
| MLogP | 2.45 |
| XLogP | 1.709 |
| HDA | 2 |
| HBD | 1 |
| Rotatable Bonds | 8 |
| TPSA | 49.77 |
| RO5 Violation | 0 |