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DocumentationIdentifier: MM145805
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM145805 |
| SMILES |
C=CC(=C)C=CC(C)=O
|
| InChIKey |
IUEGLFRZHDVFSK-UHFFFAOYSA-N
|
| MW [Da] |
122.17
Automatically obtained from RDkit software. |
| LogP |
1.87
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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MM322391
Similarity: 0.8353
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| Tanimoto metric | 0.8353 |
|---|---|
| Cosine metric | 0.9139 |
| Dice metric | 0.9103 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM103557
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| Tanimoto metric | 0.7887 |
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| Cosine metric | 0.8881 |
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| MW: | 110.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.71 |
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| AI: | 0
Total active interactions
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MM322321
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| Tanimoto metric | 0.7717 |
|---|---|
| Cosine metric | 0.8785 |
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| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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