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DocumentationIdentifier: MM269655
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM269655 |
| SMILES |
C=C(CC)C(=C)CC(C)=O
|
| InChIKey |
SSBQFAPFSXLUQN-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
2.49
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: 0.8889
Similarity to MM134005
| Tanimoto metric | 0.8889 |
|---|---|
| Cosine metric | 0.9428 |
| Dice metric | 0.9412 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM246777
Similarity: 0.823
Similarity to MM246777
| Tanimoto metric | 0.823 |
|---|---|
| Cosine metric | 0.9036 |
| Dice metric | 0.9029 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM269763
Similarity: 0.7458
Similarity to MM269763
| Tanimoto metric | 0.7458 |
|---|---|
| Cosine metric | 0.855 |
| Dice metric | 0.8544 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+191 more
