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DocumentationIdentifier: MM349592
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM349592 |
| SMILES |
CC=CC(C)=CC(C)O
|
| InChIKey |
CRTNYFQFZHSXIZ-UHFFFAOYSA-N
|
| MW [Da] |
126.2
Automatically obtained from RDkit software. |
| LogP |
1.89
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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MM352746
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| Tanimoto metric | 0.8391 |
|---|---|
| Cosine metric | 0.916 |
| Dice metric | 0.9125 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM342534
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| Tanimoto metric | 0.8202 |
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| Cosine metric | 0.9057 |
| Dice metric | 0.9012 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.06 |
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Total active interactions
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MM349450
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Similarity to MM349450
| Tanimoto metric | 0.7945 |
|---|---|
| Cosine metric | 0.8914 |
| Dice metric | 0.8855 |
| MW: | 112.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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