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DocumentationIdentifier: MM269040
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM269040 |
| SMILES |
C=CC(=C)C(C)OC(C)=O
|
| InChIKey |
UUSWZBMHYOWLSI-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
1.68
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM133746
Similarity: 0.7466
Similarity to MM133746
| Tanimoto metric | 0.7466 |
|---|---|
| Cosine metric | 0.864 |
| Dice metric | 0.8549 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172788
Similarity: 0.6986
Similarity to MM172788
| Tanimoto metric | 0.6986 |
|---|---|
| Cosine metric | 0.8358 |
| Dice metric | 0.8226 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM145117
Similarity: 0.6096
Similarity to MM145117
| Tanimoto metric | 0.6096 |
|---|---|
| Cosine metric | 0.7808 |
| Dice metric | 0.7574 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+51 more
