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DocumentationIdentifier: MM114341
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM114341 |
| SMILES |
C=CC(=C)C=CC=O
|
| InChIKey |
PQPVEDROXFZNAL-UHFFFAOYSA-N
|
| MW [Da] |
108.14
Automatically obtained from RDkit software. |
| LogP |
1.48
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM25991
Similarity: 0.7755
Similarity to MM25991
| Tanimoto metric | 0.7755 |
|---|---|
| Cosine metric | 0.8806 |
| Dice metric | 0.8736 |
| MW: | 96.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM201074
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| Tanimoto metric | 0.7538 |
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| Cosine metric | 0.8682 |
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| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM145805
Similarity: 0.6901
Similarity to MM145805
| Tanimoto metric | 0.6901 |
|---|---|
| Cosine metric | 0.8307 |
| Dice metric | 0.8167 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+203 more
