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DocumentationIdentifier: MM113365
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM113365 |
| SMILES |
C=CC(=C)COC=O
|
| InChIKey |
OOZIHIDKDDJYPP-UHFFFAOYSA-N
|
| MW [Da] |
112.13
Automatically obtained from RDkit software. |
| LogP |
0.9
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM157312
Similarity: 0.7722
Similarity to MM157312
| Tanimoto metric | 0.7722 |
|---|---|
| Cosine metric | 0.8787 |
| Dice metric | 0.8714 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM200159
Similarity: 0.7262
Similarity to MM200159
| Tanimoto metric | 0.7262 |
|---|---|
| Cosine metric | 0.8522 |
| Dice metric | 0.8414 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM97419
Similarity: 0.7049
Similarity to MM97419
| Tanimoto metric | 0.7049 |
|---|---|
| Cosine metric | 0.8396 |
| Dice metric | 0.8269 |
| MW: | 100.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+120 more
