Drug Information| Drug ID: | NPD9444 |
| Drug Name: | MNLP-462a |
| Molecular Formula: | C8H15NO5 |
| Canonical SMILES: | OC[C@@H]1N2C[C@@H]([C@H]([C@@H]2[C@H]([C@@H]1O)O)O)O |
| Standard InCHI: | InChI=1S/C8H15NO5/c10-2-3-6(12)8(14)5-7(13)4(11)1-9(3)5/h3-8,10-14H,1-2H2/t3-,4-,5+,6+,7+,8+/m0/s1 |
| Standard InCHIKey: | AXTGOJVKRHFYBT-JKVYXWIHSA-N |
| Max Developmental Stage: | Discontinued |
| Max Developmental Stage Source: | TTD |
Structural Similarity Between NPASS Natural Products and NPD9444Similarity 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
| TTD | DIB000731 |
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| Molecular Weight | 205.10 |
| ALogP | -2.5675 |
| MLogP | 1.68 |
| XLogP | -2.393 |
| HDA | 6 |
| HBD | 5 |
| Rotatable Bonds | 6 |
| TPSA | 104.39 |
| RO5 Violation | 0 |