Drug ID:   | NPD9113 |
Drug Name:   | miboplatin |
Molecular Formula:   | C6H8O4.C5H9N2.Pt |
Canonical SMILES:   | [O-]C(=O)C1(CCC1)C(=O)[O-].[N-]C[C@H]1CCC[N]1.[Pt+3] |
Standard InCHI:   | InChI=1S/C6H8O4.C5H9N2.Pt/c7-4(8)6(5(9)10)2-1-3-6;6-4-5-2-1-3-7-5;/h1-3H2,(H,7,8)(H,9,10);5H,1-4H2;/q;-1;+3/p-2/t;5-;/m.1./s1 |
Standard InCHIKey:   | FJOSAQSLWMOEFG-UTYJZAQGSA-L |
Max Developmental Stage:   | Discontinued |
Max Developmental Stage Source:   | TTD |
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 |
---|---|---|
Remote Similarity | 0.6222 | NPC310220 |
Remote Similarity | 0.6154 | NPC328569 |
Remote Similarity | 0.6047 | NPC325454 |
Remote Similarity | 0.5897 | NPC241404 |
Remote Similarity | 0.587 | NPC325102 |
Remote Similarity | 0.5814 | NPC252843 |
Remote Similarity | 0.5789 | NPC55956 |
Remote Similarity | 0.5682 | NPC38930 |
Remote Similarity | 0.5676 | NPC3343 |
Remote Similarity | 0.5641 | NPC174368 |
Remote Similarity | 0.5641 | NPC248139 |
Remote Similarity | 0.561 | NPC18224 |
Remote Similarity | 0.561 | NPC328710 |
Remote Similarity | 0.561 | NPC125575 |
TTD   | DIB005227 |
DrugBank   | |
ChEMBL   | |
IUPHAR/BPS   | |
PharmaGKB   | |
KEGG Drug   | |
PubChem CID   | |
ChEBI   | |
CAS Number   |
Molecular Weight   | 142.03 |
ALogP   | -2.3682 |
MLogP   | 1.68 |
XLogP   | -0.688 |
HDA   | 4 |
HBD   | 0 |
Rotatable Bonds   | 4 |
TPSA   | 80.26 |
RO5 Violation   | 0 |