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DocumentationIdentifier: MM379248
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM379248 |
| SMILES |
C=CC=CC(=CC)CC=O
|
| InChIKey |
IHUHYWZAJGFMTN-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 |
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| Tanimoto metric | 0.8222 |
|---|---|
| Cosine metric | 0.9068 |
| Dice metric | 0.9024 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM282161
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| Tanimoto metric | 0.7396 |
|---|---|
| Cosine metric | 0.8529 |
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| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 2.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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