Drug ID:   | NPD7360 |
Drug Name:   | Triclofos |
Molecular Formula:   | C2H4Cl3O4P |
Canonical SMILES:   | ClC(COP(=O)(O)O)(Cl)Cl |
Standard InCHI:   | InChI=1S/C2H4Cl3O4P/c3-2(4,5)1-9-10(6,7)8/h1H2,(H2,6,7,8) |
Standard InCHIKey:   | YYQRGCZGSFRBAM-UHFFFAOYSA-N |
Max Developmental Stage:   | Approved |
Max Developmental Stage Source:   | ChEMBL |
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 | 0.7931 | NPC290971 |
Remote Similarity | 0.6552 | NPC317545 |
Remote Similarity | 0.6207 | NPC314978 |
Remote Similarity | 0.5926 | NPC254757 |
Remote Similarity | 0.5667 | NPC321100 |
Remote Similarity | 0.5625 | NPC120097 |
Molecular Weight   | 227.89 |
ALogP   | 1.3037 |
MLogP   | 0.8 |
XLogP   | 0.108 |
HDA   | 4 |
HBD   | 2 |
Rotatable Bonds   | 8 |
TPSA   | 76.57 |
RO5 Violation   | 0 |