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DocumentationIdentifier: MM269763
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM269763 |
| SMILES |
C=CC(=C)C(=C)CC(C)=O
|
| InChIKey |
JFKXFVNPMGYSIR-UHFFFAOYSA-N
|
| MW [Da] |
136.19
Automatically obtained from RDkit software. |
| LogP |
2.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM134005
Similarity: 0.8224
Similarity to MM134005
| Tanimoto metric | 0.8224 |
|---|---|
| Cosine metric | 0.9069 |
| Dice metric | 0.9026 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM246777
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Similarity to MM246777
| Tanimoto metric | 0.7541 |
|---|---|
| Cosine metric | 0.8598 |
| Dice metric | 0.8598 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM269655
Similarity: 0.7458
Similarity to MM269655
| Tanimoto metric | 0.7458 |
|---|---|
| Cosine metric | 0.855 |
| Dice metric | 0.8544 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+173 more
