Drug Information| Drug ID: | NPD9432 |
| Drug Name: | midafotel |
| Molecular Formula: | C8H15N2O5P |
| Canonical SMILES: | OC(=O)[C@@H]1NCCN(C1)C/C=C/P(=O)(O)O |
| Standard InCHI: | InChI=1S/C8H15N2O5P/c11-8(12)7-6-10(4-2-9-7)3-1-5-16(13,14)15/h1,5,7,9H,2-4,6H2,(H,11,12)(H2,13,14,15)/b5-1+/t7-/m1/s1 |
| Standard InCHIKey: | VZXMZMJSGLFKQI-ABVWVHJUSA-N |
| Max Developmental Stage: | Discontinued |
| Max Developmental Stage Source: | TTD |
Structural Similarity Between NPASS Natural Products and NPD9432Similarity 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 | 0.6296 | NPC126293 |
| Remote Similarity | 0.6 | NPC315977 |
| Remote Similarity | 0.5952 | NPC192521 |
| Remote Similarity | 0.5921 | NPC177191 |
| Remote Similarity | 0.589 | NPC10915 |
| Remote Similarity | 0.5821 | NPC198301 |
| Remote Similarity | 0.5789 | NPC64250 |
| Remote Similarity | 0.5789 | NPC276928 |
| Remote Similarity | 0.5789 | NPC268927 |
| Remote Similarity | 0.5733 | NPC283786 |
| Remote Similarity | 0.5641 | NPC322206 |
| Remote Similarity | 0.5641 | NPC470738 |
| Remote Similarity | 0.5606 | NPC237525 |
| Remote Similarity | 0.5606 | NPC326212 |
| TTD | DIB012734 |
| DrugBank | |
| ChEMBL | |
| IUPHAR/BPS | |
| PharmaGKB | |
| KEGG Drug | |
| PubChem CID | |
| ChEBI | |
| CAS Number |
| Molecular Weight | 250.07 |
| ALogP | -1.4348 |
| MLogP | 1.46 |
| XLogP | -2.167 |
| HDA | 7 |
| HBD | 4 |
| Rotatable Bonds | 7 |
| TPSA | 119.91 |
| RO5 Violation | 0 |