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DocumentationIdentifier: MM175823
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM175823 |
| SMILES |
C=COC(C)=C(C)CO
|
| InChIKey |
XXNXSWPMGHSJNK-UHFFFAOYSA-N
|
| MW [Da] |
128.17
Automatically obtained from RDkit software. |
| LogP |
1.43
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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MM362134
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Similarity to MM362134
| Tanimoto metric | 0.8824 |
|---|---|
| Cosine metric | 0.9393 |
| Dice metric | 0.9375 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.8036 |
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| Cosine metric | 0.8964 |
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| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM112405
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| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
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| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+307 more
