Drug Information| Drug ID: | NPD2701 |
| Drug Name: | spirogermanium hydrochloride |
| Molecular Formula: | C17H36GeN2 |
| Canonical SMILES: | CC[Ge]1(CC)CCC2(CC1)CCN(C2)CCCN(C)C |
| Standard InCHI: | InChI=1S/C17H36GeN2/c1-5-18(6-2)11-8-17(9-12-18)10-15-20(16-17)14-7-13-19(3)4/h5-16H2,1-4H3 |
| Standard InCHIKey: | PWMYMKOUNYTVQN-UHFFFAOYSA-N |
| Max Developmental Stage: | Discontinued |
| Max Developmental Stage Source: | TTD |
Structural Similarity Between NPASS Natural Products and NPD2701Similarity 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 |
|---|---|---|
| Intermediate Similarity | 0.7347 | NPC201713 |
| Remote Similarity | 0.6667 | NPC471575 |
| Remote Similarity | 0.6667 | NPC471440 |
| Remote Similarity | 0.5745 | NPC326791 |
| Remote Similarity | 0.5745 | NPC166030 |
| Remote Similarity | 0.5652 | NPC203203 |
| TTD | DIB002195 |
| DrugBank | |
| ChEMBL | |
| IUPHAR/BPS | |
| PharmaGKB | |
| KEGG Drug | |
| PubChem CID | |
| ChEBI | |
| CAS Number |
| Molecular Weight | 342.21 |
| ALogP | 0.7582 |
| MLogP | 3 |
| XLogP | 3.62 |
| HDA | 2 |
| HBD | 0 |
| Rotatable Bonds | 10 |
| TPSA | 6.48 |
| RO5 Violation | 0 |