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DocumentationIdentifier: MM159776
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM159776 |
| SMILES |
CC=CC(C)=COCC
|
| InChIKey |
ZYQYITLYOZCALB-UHFFFAOYSA-N
|
| MW [Da] |
126.2
Automatically obtained from RDkit software. |
| LogP |
2.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM285066
Similarity: 0.8734
Similarity to MM285066
| Tanimoto metric | 0.8734 |
|---|---|
| Cosine metric | 0.9346 |
| Dice metric | 0.9324 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM285030
Similarity: 0.8625
Similarity to MM285030
| Tanimoto metric | 0.8625 |
|---|---|
| Cosine metric | 0.9287 |
| Dice metric | 0.9262 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM387366
Similarity: 0.8313
Similarity to MM387366
| Tanimoto metric | 0.8313 |
|---|---|
| Cosine metric | 0.9118 |
| Dice metric | 0.9079 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+877 more
