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DocumentationIdentifier: MM370027
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM370027 |
| SMILES |
C#CC(=C)COC=CCO
|
| InChIKey |
OIYFSDVQGLCAKA-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
0.7
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM167625
Similarity: 0.8929
Similarity to MM167625
| Tanimoto metric | 0.8929 |
|---|---|
| Cosine metric | 0.9449 |
| Dice metric | 0.9434 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM370096
Similarity: 0.8352
Similarity to MM370096
| Tanimoto metric | 0.8352 |
|---|---|
| Cosine metric | 0.9102 |
| Dice metric | 0.9102 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM370144
Similarity: 0.8152
Similarity to MM370144
| Tanimoto metric | 0.8152 |
|---|---|
| Cosine metric | 0.8982 |
| Dice metric | 0.8982 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+527 more
