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DocumentationIdentifier: MM209730
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM209730 |
| SMILES |
C#CC(C)=COC1CC1
|
| InChIKey |
RAFPKUXKCJYISH-UHFFFAOYSA-N
|
| MW [Da] |
122.17
Automatically obtained from RDkit software. |
| LogP |
1.7
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM456926
Similarity: 0.9184
Similarity to MM456926
| Tanimoto metric | 0.9184 |
|---|---|
| Cosine metric | 0.9583 |
| Dice metric | 0.9574 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM435932
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| Tanimoto metric | 0.8411 |
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| Cosine metric | 0.9171 |
| Dice metric | 0.9137 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM456814
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Similarity to MM456814
| Tanimoto metric | 0.7826 |
|---|---|
| Cosine metric | 0.8847 |
| Dice metric | 0.878 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+169 more
