Drug Information| Drug ID: | NPD354 |
| Drug Name: | Methyprylon |
| Molecular Formula: | C10H17NO2 |
| Canonical SMILES: | CCC1(CC)C(=NCC(C1=O)C)O |
| Standard InCHI: | InChI=1S/C10H17NO2/c1-4-10(5-2)8(12)7(3)6-11-9(10)13/h7H,4-6H2,1-3H3,(H,11,13) |
| Standard InCHIKey: | SIDLZWOQUZRBRU-UHFFFAOYSA-N |
| Max Developmental Stage: | Approved |
| Max Developmental Stage Source: | TTD; ChEMBL; IUPHAR/BPS |
Structural Similarity Between NPASS Natural Products and NPD354Similarity 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 | 0.661 | NPC87359 |
| Remote Similarity | 0.661 | NPC180402 |
| Remote Similarity | 0.6364 | NPC51695 |
| Remote Similarity | 0.6364 | NPC314858 |
| Remote Similarity | 0.6364 | NPC200085 |
| Remote Similarity | 0.6364 | NPC253703 |
| Remote Similarity | 0.619 | NPC137327 |
| Remote Similarity | 0.6032 | NPC471131 |
| Remote Similarity | 0.6032 | NPC322946 |
| Remote Similarity | 0.6029 | NPC329564 |
| Remote Similarity | 0.6029 | NPC327170 |
| Remote Similarity | 0.6 | NPC150560 |
| Remote Similarity | 0.5968 | NPC21142 |
| Remote Similarity | 0.5921 | NPC209156 |
| Remote Similarity | 0.5921 | NPC256312 |
| Remote Similarity | 0.5921 | NPC266888 |
| Remote Similarity | 0.5921 | NPC161774 |
| Remote Similarity | 0.5882 | NPC327748 |
| Remote Similarity | 0.5882 | NPC317143 |
| Remote Similarity | 0.5882 | NPC321468 |
| Remote Similarity | 0.5882 | NPC316826 |
| Remote Similarity | 0.5867 | NPC214532 |
| Remote Similarity | 0.5867 | NPC196007 |
| Remote Similarity | 0.5867 | NPC76297 |
| Remote Similarity | 0.5857 | NPC21848 |
| Remote Similarity | 0.5857 | NPC124849 |
| Remote Similarity | 0.5821 | NPC318260 |
| Remote Similarity | 0.5821 | NPC317147 |
| Remote Similarity | 0.5733 | NPC478256 |
| Remote Similarity | 0.5714 | NPC80350 |
| Remote Similarity | 0.561 | NPC470783 |
| TTD | DAP000683 |
| DrugBank | DB01107 |
| ChEMBL | CHEMBL1200790 |
| IUPHAR/BPS | 7238 |
| PharmaGKB | PA164746748 |
| KEGG Drug | D01150 |
| PubChem CID | 4162 |
| ChEBI | 31837 |
| CAS Number | 125-64-4 |
| Molecular Weight | 183.13 |
| ALogP | -0.0192 |
| MLogP | 2.23 |
| XLogP | 1.569 |
| HDA | 3 |
| HBD | 1 |
| Rotatable Bonds | 6 |
| TPSA | 49.66 |
| RO5 Violation | 0 |