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DocumentationIdentifier: MM266996
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM266996 |
| SMILES |
CC=CC(=O)C=C(C)C=O
|
| InChIKey |
GETULYUZDAKFFF-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
1.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM143833
Similarity: 0.9012
Similarity to MM143833
| Tanimoto metric | 0.9012 |
|---|---|
| Cosine metric | 0.9493 |
| Dice metric | 0.9481 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM339206
Similarity: 0.8022
Similarity to MM339206
| Tanimoto metric | 0.8022 |
|---|---|
| Cosine metric | 0.8903 |
| Dice metric | 0.8902 |
| MW: | 138.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM266998
Similarity: 0.7019
Similarity to MM266998
| Tanimoto metric | 0.7019 |
|---|---|
| Cosine metric | 0.8278 |
| Dice metric | 0.8249 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+219 more
