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DocumentationIdentifier: MM291629
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM291629 |
| SMILES |
C#CCOCC(C)OC=C
|
| InChIKey |
LPYYGCMJEVRXAQ-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
1.18
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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MM165898
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Similarity to MM165898
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
| Dice metric | 0.875 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM291465
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Similarity to MM291465
| Tanimoto metric | 0.7079 |
|---|---|
| Cosine metric | 0.8307 |
| Dice metric | 0.8289 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM367289
Similarity: 0.6774
Similarity to MM367289
| Tanimoto metric | 0.6774 |
|---|---|
| Cosine metric | 0.8083 |
| Dice metric | 0.8077 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+621 more
