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DocumentationIdentifier: MM341023
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM341023 |
| SMILES |
C=CC(C)OC1(CC)CC1
|
| InChIKey |
DGVLTFSIEMCNRK-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
2.52
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 | 0.8522 |
|---|---|
| Cosine metric | 0.9231 |
| Dice metric | 0.9202 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.8261 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.13 |
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|---|---|---|---|---|---|
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Total active interactions
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MM429514
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Similarity to MM429514
| Tanimoto metric | 0.784 |
|---|---|
| Cosine metric | 0.8794 |
| Dice metric | 0.8789 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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