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DocumentationIdentifier: MM263735
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM263735 |
| SMILES |
C=CCC(=C)OC(=C)C=O
|
| InChIKey |
OEZHDKHUJOVQFK-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
1.81
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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| Tanimoto metric | 0.8019 |
|---|---|
| Cosine metric | 0.8955 |
| Dice metric | 0.8901 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8318 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 2.03 |
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Total active interactions
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MM65189
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|---|---|
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||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+155 more
