Drug ID:   | NPD7356 |
Drug Name:   | Nedaplatin |
Molecular Formula:   | C2H3O3.2H3N.Pt |
Canonical SMILES:   | [O-]CC(=O)[O-].N.N.[Pt+2] |
Standard InCHI:   | InChI=1S/C2H3O3.2H3N.Pt/c3-1-2(4)5;;;/h1H2,(H,4,5);2*1H3;/q-1;;;+2/p-1 |
Standard InCHIKey:   | GYAVMUDJCHAASE-UHFFFAOYSA-M |
Max Developmental Stage:   | Approved |
Max Developmental Stage Source:   | DrugBank |
Similarity 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.
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 | 0.7826 | NPC165122 |
Intermediate Similarity | 0.7727 | NPC307812 |
Remote Similarity | 0.6923 | NPC316272 |
Remote Similarity | 0.6667 | NPC232172 |
Remote Similarity | 0.6667 | NPC137050 |
Remote Similarity | 0.6364 | NPC301950 |
Remote Similarity | 0.625 | NPC23508 |
Remote Similarity | 0.6207 | NPC307739 |
Remote Similarity | 0.6207 | NPC329270 |
Remote Similarity | 0.6207 | NPC76217 |
Remote Similarity | 0.6 | NPC114586 |
Remote Similarity | 0.6 | NPC110107 |
Remote Similarity | 0.5909 | NPC68873 |
Remote Similarity | 0.5909 | NPC283245 |
Remote Similarity | 0.5909 | NPC7922 |
Remote Similarity | 0.5862 | NPC5934 |
Remote Similarity | 0.5806 | NPC140229 |
Remote Similarity | 0.5769 | NPC3693 |
Remote Similarity | 0.5769 | NPC32280 |
Remote Similarity | 0.5769 | NPC41485 |
Remote Similarity | 0.5714 | NPC88135 |
Remote Similarity | 0.5652 | NPC37493 |
Remote Similarity | 0.5652 | NPC173862 |
Remote Similarity | 0.5625 | NPC325165 |
Remote Similarity | 0.56 | NPC8187 |
Molecular Weight   | 74.00 |
ALogP   | -1.9135 |
MLogP   | 1.35 |
XLogP   | -1.598 |
HDA   | 3 |
HBD   | 0 |
Rotatable Bonds   | 3 |
TPSA   | 63.19 |
RO5 Violation   | 0 |