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DocumentationIdentifier: MM318405
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM318405 |
| SMILES |
C#CC(C)COC(=C)CC
|
| InChIKey |
XCOJKKXNBTYEAH-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
2.2
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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MM144562
Similarity: 0.8333
Similarity to MM144562
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM251024
Similarity: 0.7938
Similarity to MM251024
| Tanimoto metric | 0.7938 |
|---|---|
| Cosine metric | 0.8856 |
| Dice metric | 0.8851 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM302542
Similarity: 0.7857
Similarity to MM302542
| Tanimoto metric | 0.7857 |
|---|---|
| Cosine metric | 0.8804 |
| Dice metric | 0.88 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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