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DocumentationIdentifier: MM284986
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM284986 |
| SMILES |
C#CCC(C)=COC=CC
|
| InChIKey |
OABOJGJNLRJDQK-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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| Tanimoto metric | 0.92 |
|---|---|
| Cosine metric | 0.9592 |
| Dice metric | 0.9583 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM385998
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| Tanimoto metric | 0.7753 |
|---|---|
| Cosine metric | 0.8745 |
| Dice metric | 0.8734 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM171323
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|---|---|
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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