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DocumentationIdentifier: MM325592
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM325592 |
| SMILES |
C=CC(=C)OC=C(C)CO
|
| InChIKey |
ZAEVAYLLZZPFQW-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
1.6
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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MM146656
Similarity: 0.8065
Similarity to MM146656
| Tanimoto metric | 0.8065 |
|---|---|
| Cosine metric | 0.898 |
| Dice metric | 0.8929 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM347012
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| Tanimoto metric | 0.75 |
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| Cosine metric | 0.8588 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.41 |
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|---|---|---|---|---|---|
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MM146468
Similarity: 0.7419
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| Tanimoto metric | 0.7419 |
|---|---|
| Cosine metric | 0.8614 |
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| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+201 more
