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DocumentationIdentifier: MM254835
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM254835 |
| SMILES |
C=C(C)COC(C)C(C)=O
|
| InChIKey |
DWOLGPDNZWWURK-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.56
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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MM341043
Similarity: 0.7881
Similarity to MM341043
| Tanimoto metric | 0.7881 |
|---|---|
| Cosine metric | 0.8827 |
| Dice metric | 0.8815 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM162322
Similarity: 0.7748
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| Tanimoto metric | 0.7748 |
|---|---|
| Cosine metric | 0.8802 |
| Dice metric | 0.8731 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM254834
Similarity: 0.7176
Similarity to MM254834
| Tanimoto metric | 0.7176 |
|---|---|
| Cosine metric | 0.8356 |
| Dice metric | 0.8356 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+191 more
