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DocumentationIdentifier: MM87206
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM87206 |
| SMILES |
CCOC(C=O)=C(C)CO
|
| InChIKey |
RBXLFBGFZBMWAK-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
0.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM175789
Similarity: 0.6977
Similarity to MM175789
| Tanimoto metric | 0.6977 |
|---|---|
| Cosine metric | 0.8353 |
| Dice metric | 0.8219 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM87227
Similarity: 0.6974
Similarity to MM87227
| Tanimoto metric | 0.6974 |
|---|---|
| Cosine metric | 0.8217 |
| Dice metric | 0.8217 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM51922
Similarity: 0.6822
Similarity to MM51922
| Tanimoto metric | 0.6822 |
|---|---|
| Cosine metric | 0.8259 |
| Dice metric | 0.8111 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+148 more
