Drug Information| Drug ID: | NPD8948 |
| Drug Name: | |
| Molecular Formula: | C6H10N2.C3H5O3.Pt |
| Canonical SMILES: | [O-]C(=O)[C@H](C)[O-].[N]CC1CC[C@H]1C[N].[Pt+2] |
| Standard InCHI: | InChI=1S/C6H10N2.C3H5O3.Pt/c7-3-5-1-2-6(5)4-8;1-2(4)3(5)6;/h5-6H,1-4H2;2H,1H3,(H,5,6);/q;-1;+2/p-1/t5-,6?;2-;/m00./s1 |
| Standard InCHIKey: | YZWZRMDULVMRCG-HMDHCDTDSA-M |
| Max Developmental Stage: | Approved |
| Max Developmental Stage Source: | TTD |
Structural Similarity Between NPASS Natural Products and NPD8948Similarity 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 | 0.7241 | NPC306277 |
| Intermediate Similarity | 0.7 | NPC125872 |
| Intermediate Similarity | 0.7 | NPC83032 |
| Remote Similarity | 0.6552 | NPC28081 |
| Remote Similarity | 0.6552 | NPC309330 |
| Remote Similarity | 0.6364 | NPC8576 |
| Remote Similarity | 0.6316 | NPC203203 |
| Remote Similarity | 0.6176 | NPC313882 |
| Remote Similarity | 0.6 | NPC27869 |
| Remote Similarity | 0.5676 | NPC320889 |
| Remote Similarity | 0.5667 | NPC309715 |
| Remote Similarity | 0.561 | NPC473035 |
| TTD | DIB000659 |
| DrugBank | |
| ChEMBL | |
| IUPHAR/BPS | |
| PharmaGKB | |
| KEGG Drug | |
| PubChem CID | |
| ChEBI | |
| CAS Number |
| Molecular Weight | 114.12 |
| ALogP | -1.5776 |
| MLogP | 1.9 |
| XLogP | -0.372 |
| HDA | 2 |
| HBD | 2 |
| Rotatable Bonds | 4 |
| TPSA | 52.04 |
| RO5 Violation | 0 |