Drug ID:   | NPD7387 |
Drug Name:   | Trichloroethylene |
Molecular Formula:   | C2HCl3 |
Canonical SMILES:   | ClC=C(Cl)Cl |
Standard InCHI:   | InChI=1S/C2HCl3/c3-1-2(4)5/h1H |
Standard InCHIKey:   | XSTXAVWGXDQKEL-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 |
---|---|---|
High Similarity | 1.0 | NPC318820 |
Intermediate Similarity | 0.8462 | NPC323700 |
Intermediate Similarity | 0.7333 | NPC243894 |
Remote Similarity | 0.6667 | NPC182606 |
Remote Similarity | 0.6316 | NPC223400 |
Remote Similarity | 0.5714 | NPC90974 |
Molecular Weight   | 129.91 |
ALogP   | 1.7428 |
MLogP   | 1.35 |
XLogP   | 2.642 |
HDA   | 0 |
HBD   | 0 |
Rotatable Bonds   | 3 |
TPSA   | 0 |
RO5 Violation   | 0 |