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DocumentationIdentifier: MM252358
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM252358 |
| SMILES |
C=CCC(=O)C=CC(C)=O
|
| InChIKey |
IIXARKZOJYYTFB-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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MM281856
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| Tanimoto metric | 0.859 |
|---|---|
| Cosine metric | 0.9252 |
| Dice metric | 0.9241 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.8421 |
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| Cosine metric | 0.9177 |
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| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 0.89 |
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|---|---|---|---|---|---|
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Total active interactions
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MM280672
Similarity: 0.8333
Similarity to MM280672
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9109 |
| Dice metric | 0.9091 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+230 more
