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DocumentationIdentifier: MM424921
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM424921 |
| SMILES |
C#CC(C=O)=C(C)C#CC
|
| InChIKey |
DOVWZNRZRMNITO-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 |
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MM176061
Similarity: 0.8211
Similarity to MM176061
| Tanimoto metric | 0.8211 |
|---|---|
| Cosine metric | 0.9061 |
| Dice metric | 0.9017 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM202132
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| Tanimoto metric | 0.7895 |
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| Cosine metric | 0.8885 |
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| MW: | 118.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.77 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM387783
Similarity: 0.7864
Similarity to MM387783
| Tanimoto metric | 0.7864 |
|---|---|
| Cosine metric | 0.8809 |
| Dice metric | 0.8804 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+322 more
