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DocumentationIdentifier: MM325257
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM325257 |
| SMILES |
CCC(=O)CC=C(C)C=O
|
| InChIKey |
QLFQUTHMCSQDNN-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
1.5
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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MM146380
Similarity: 0.75
Similarity to MM146380
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM324989
Similarity: 0.7053
Similarity to MM324989
| Tanimoto metric | 0.7053 |
|---|---|
| Cosine metric | 0.8277 |
| Dice metric | 0.8272 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM253281
Similarity: 0.7
Similarity to MM253281
| Tanimoto metric | 0.7 |
|---|---|
| Cosine metric | 0.8275 |
| Dice metric | 0.8235 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+416 more
