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DocumentationIdentifier: MM262836
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM262836 |
| SMILES |
C=CC(C)CC(=C)OC=O
|
| InChIKey |
XAPURNLMLQYSPL-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
1.89
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 | 0.7255 |
|---|---|
| Cosine metric | 0.8518 |
| Dice metric | 0.8409 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM262560
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| Tanimoto metric | 0.6777 |
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| Cosine metric | 0.8079 |
| Dice metric | 0.8079 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.69 |
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| AI: | 0
Total active interactions
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MM262839
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Similarity to MM262839
| Tanimoto metric | 0.6172 |
|---|---|
| Cosine metric | 0.7634 |
| Dice metric | 0.7633 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+109 more
