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DocumentationIdentifier: MM158401
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM158401 |
| SMILES |
CCC#CC(C)OC=O
|
| InChIKey |
DVTIHSDRYPTDHU-UHFFFAOYSA-N
|
| MW [Da] |
126.16
Automatically obtained from RDkit software. |
| LogP |
0.96
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM282725
Similarity: 0.8571
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| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9258 |
| Dice metric | 0.9231 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.07 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM107705
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Similarity to MM107705
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
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| MW: | 112.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+221 more
