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DocumentationIdentifier: MM377727
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM377727 |
| SMILES |
C#CCC(OC)C(=O)OC
|
| InChIKey |
HVRRXGHYMSMLAG-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
0.2
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM314007
Similarity: 0.7698
Similarity to MM314007
| Tanimoto metric | 0.7698 |
|---|---|
| Cosine metric | 0.8774 |
| Dice metric | 0.8699 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM50158
Similarity: 0.7626
Similarity to MM50158
| Tanimoto metric | 0.7626 |
|---|---|
| Cosine metric | 0.8733 |
| Dice metric | 0.8653 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM197231
Similarity: 0.7554
Similarity to MM197231
| Tanimoto metric | 0.7554 |
|---|---|
| Cosine metric | 0.8691 |
| Dice metric | 0.8607 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+184 more
