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DocumentationIdentifier: MM290524
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM290524 |
| SMILES |
CC(F)=CC=COCCO
|
| InChIKey |
ABGVSNYUIKWXPC-UHFFFAOYSA-N
|
| MW [Da] |
146.16
Automatically obtained from RDkit software. |
| LogP |
1.38
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM155034
Similarity: 0.8734
Similarity to MM155034
| Tanimoto metric | 0.8734 |
|---|---|
| Cosine metric | 0.9346 |
| Dice metric | 0.9324 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM290540
Similarity: 0.7609
Similarity to MM290540
| Tanimoto metric | 0.7609 |
|---|---|
| Cosine metric | 0.8645 |
| Dice metric | 0.8642 |
| MW: | 141.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM371498
Similarity: 0.734
Similarity to MM371498
| Tanimoto metric | 0.734 |
|---|---|
| Cosine metric | 0.847 |
| Dice metric | 0.8466 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+445 more
