Drug ID:   | NPD8612 |
Drug Name:   | Trichlorfon |
Molecular Formula:   | C4H8Cl3O4P |
Canonical SMILES:   | COP(=O)(C(C(Cl)(Cl)Cl)O)OC |
Standard InCHI:   | InChI=1S/C4H8Cl3O4P/c1-10-12(9,11-2)3(8)4(5,6)7/h3,8H,1-2H3 |
Standard InCHIKey:   | NFACJZMKEDPNKN-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 | 0.7353 | NPC290971 |
Remote Similarity | 0.6875 | NPC314978 |
Remote Similarity | 0.6176 | NPC317545 |
Remote Similarity | 0.5833 | NPC68114 |
Remote Similarity | 0.5833 | NPC120097 |
Remote Similarity | 0.5758 | NPC327597 |
Remote Similarity | 0.5641 | NPC321170 |
Remote Similarity | 0.5641 | NPC31433 |
Remote Similarity | 0.5641 | NPC266566 |
Remote Similarity | 0.5625 | NPC254757 |
Molecular Weight   | 255.92 |
ALogP   | 1.2382 |
MLogP   | 1.02 |
XLogP   | 0.527 |
HDA   | 4 |
HBD   | 1 |
Rotatable Bonds   | 10 |
TPSA   | 65.57 |
RO5 Violation   | 0 |