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DocumentationIdentifier: MM145442
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM145442 |
| SMILES |
CC(O)C=CC(C)C#N
|
| InChIKey |
RAVFYRSQNGLQHS-UHFFFAOYSA-N
|
| MW [Da] |
125.17
Automatically obtained from RDkit software. |
| LogP |
1.08
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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MM81800
Similarity: 0.9114
Similarity to MM81800
| Tanimoto metric | 0.9114 |
|---|---|
| Cosine metric | 0.9547 |
| Dice metric | 0.9536 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM321348
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| Tanimoto metric | 0.8471 |
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| Cosine metric | 0.9204 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.59 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM339905
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Similarity to MM339905
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|---|---|
| Cosine metric | 0.8944 |
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| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+848 more
