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DocumentationIdentifier: MM247717
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM247717 |
| SMILES |
C=C(C=C(C)C=O)C(C)=O
|
| InChIKey |
AKIRSVPTAQQJBY-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
1.28
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 | 0.7706 |
|---|---|
| Cosine metric | 0.8779 |
| Dice metric | 0.8705 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM163438
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| Tanimoto metric | 0.7615 |
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| Cosine metric | 0.8726 |
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| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.89 |
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MM248218
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Similarity to MM248218
| Tanimoto metric | 0.7176 |
|---|---|
| Cosine metric | 0.836 |
| Dice metric | 0.8356 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+374 more
