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DocumentationIdentifier: MM340554
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM340554 |
| SMILES |
C#CC(=C)C(C=C)CCO
|
| InChIKey |
KDOZOYCXYLENRI-UHFFFAOYSA-N
|
| MW [Da] |
136.19
Automatically obtained from RDkit software. |
| LogP |
1.36
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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MM344478
Similarity: 0.7699
Similarity to MM344478
| Tanimoto metric | 0.7699 |
|---|---|
| Cosine metric | 0.8774 |
| Dice metric | 0.87 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM346451
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| Tanimoto metric | 0.6637 |
|---|---|
| Cosine metric | 0.8147 |
| Dice metric | 0.7979 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.75 |
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Total active interactions
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MM349922
Similarity: 0.6541
Similarity to MM349922
| Tanimoto metric | 0.6541 |
|---|---|
| Cosine metric | 0.7912 |
| Dice metric | 0.7909 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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