Drug Information| Drug ID: | NPD9041 |
| Drug Name: | ormaplatin |
| Molecular Formula: | C6H14N2 |
| Canonical SMILES: | N[C@@H]1CCCC[C@H]1N |
| Standard InCHI: | InChI=1S/C6H14N2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4,7-8H2/t5-,6-/m1/s1 |
| Standard InCHIKey: | SSJXIUAHEKJCMH-PHDIDXHHSA-N |
| Max Developmental Stage: | Approved |
| Max Developmental Stage Source: | TTD |
Structural Similarity Between NPASS Natural Products and NPD9041Similarity 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 |
|---|---|---|
| High Similarity | 0.8929 | NPC8576 |
| Intermediate Similarity | 0.75 | NPC306277 |
| Intermediate Similarity | 0.7241 | NPC125872 |
| Remote Similarity | 0.6944 | NPC251559 |
| Remote Similarity | 0.6897 | NPC318947 |
| Remote Similarity | 0.6786 | NPC28081 |
| Remote Similarity | 0.6786 | NPC309330 |
| Remote Similarity | 0.6364 | NPC313882 |
| Remote Similarity | 0.6207 | NPC27869 |
| Remote Similarity | 0.6176 | NPC51659 |
| Remote Similarity | 0.6 | NPC167301 |
| Remote Similarity | 0.6 | NPC21157 |
| Remote Similarity | 0.5862 | NPC309715 |
| Remote Similarity | 0.5833 | NPC320889 |
| Remote Similarity | 0.5641 | NPC74599 |
| Remote Similarity | 0.5625 | NPC83032 |
| TTD | DAP000062; DIB002265 |
| DrugBank | |
| ChEMBL | |
| IUPHAR/BPS | |
| PharmaGKB | |
| KEGG Drug | |
| PubChem CID | 9887054 |
| ChEBI | |
| CAS Number |
| Molecular Weight | 114.12 |
| ALogP | -2.7526 |
| MLogP | 1.9 |
| XLogP | -0.046 |
| HDA | 2 |
| HBD | 2 |
| Rotatable Bonds | 2 |
| TPSA | 52.04 |
| RO5 Violation | 0 |