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DocumentationIdentifier: MM360001
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM360001 |
| SMILES |
C=C(C#CC=O)C#CCC
|
| InChIKey |
WETXZJLLVAJOMB-UHFFFAOYSA-N
|
| MW [Da] |
132.16
Automatically obtained from RDkit software. |
| LogP |
1.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM253045
Similarity: 0.8372
Similarity to MM253045
| Tanimoto metric | 0.8372 |
|---|---|
| Cosine metric | 0.915 |
| Dice metric | 0.9114 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM158747
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| Tanimoto metric | 0.8333 |
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| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 118.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.77 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM360044
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Similarity to MM360044
| Tanimoto metric | 0.7654 |
|---|---|
| Cosine metric | 0.8672 |
| Dice metric | 0.8671 |
| MW: | 130.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+379 more
