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DocumentationIdentifier: MM247680
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM247680 |
| SMILES |
C=C(C=C(C)CC)C(C)=O
|
| InChIKey |
OELFMRLLMVOTRB-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 |
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MM134176
Similarity: 0.785
Similarity to MM134176
| Tanimoto metric | 0.785 |
|---|---|
| Cosine metric | 0.886 |
| Dice metric | 0.8796 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM163418
Similarity: 0.7664
Similarity to MM163418
| Tanimoto metric | 0.7664 |
|---|---|
| Cosine metric | 0.8754 |
| Dice metric | 0.8677 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM247717
Similarity: 0.7143
Similarity to MM247717
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8334 |
| Dice metric | 0.8333 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+360 more
