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DocumentationIdentifier: MM375542
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM375542 |
| SMILES |
CC#CC=COC(C)=CC
|
| InChIKey |
IUVFKEUJRRQLOL-UHFFFAOYSA-N
|
| MW [Da] |
136.19
Automatically obtained from RDkit software. |
| LogP |
2.46
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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MM169017
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| Tanimoto metric | 0.8442 |
|---|---|
| Cosine metric | 0.9188 |
| Dice metric | 0.9155 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM153878
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| Tanimoto metric | 0.8182 |
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| Cosine metric | 0.9045 |
| Dice metric | 0.9 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM284089
Similarity: 0.7952
Similarity to MM284089
| Tanimoto metric | 0.7952 |
|---|---|
| Cosine metric | 0.8864 |
| Dice metric | 0.8859 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+479 more
