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DocumentationIdentifier: MM134427
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM134427 |
| SMILES |
C=C(C)OC(C)=C(C)C
|
| InChIKey |
QKYBYHCCUYAFJF-UHFFFAOYSA-N
|
| MW [Da] |
126.2
Automatically obtained from RDkit software. |
| LogP |
2.85
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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MM248604
Similarity: 0.9294
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| Tanimoto metric | 0.9294 |
|---|---|
| Cosine metric | 0.9641 |
| Dice metric | 0.9634 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM256273
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| Tanimoto metric | 0.7882 |
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| Cosine metric | 0.8823 |
| Dice metric | 0.8816 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 3.24 |
||||
|---|---|---|---|---|---|
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Total active interactions
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MM248546
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Similarity to MM248546
| Tanimoto metric | 0.7524 |
|---|---|
| Cosine metric | 0.8674 |
| Dice metric | 0.8587 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+559 more
