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DocumentationIdentifier: MM345701
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM345701 |
| SMILES |
COC(C)(C)C=CC1CC1
|
| InChIKey |
OWSQPFDLPYUMMC-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
2.38
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 | 0.8365 |
|---|---|
| Cosine metric | 0.9146 |
| Dice metric | 0.911 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM240927
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| Tanimoto metric | 0.8077 |
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| Cosine metric | 0.8987 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.77 |
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Total active interactions
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MM228322
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| Tanimoto metric | 0.7596 |
|---|---|
| Cosine metric | 0.8716 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+377 more
