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DocumentationIdentifier: MM356812
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM356812 |
| SMILES |
C=COCC(=O)OC=CC
|
| InChIKey |
WLDKRERMTPDGNW-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
1.22
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM156904
Similarity: 0.9268
Similarity to MM156904
| Tanimoto metric | 0.9268 |
|---|---|
| Cosine metric | 0.9627 |
| Dice metric | 0.962 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM167454
Similarity: 0.8118
Similarity to MM167454
| Tanimoto metric | 0.8118 |
|---|---|
| Cosine metric | 0.898 |
| Dice metric | 0.8961 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM280139
Similarity: 0.8085
Similarity to MM280139
| Tanimoto metric | 0.8085 |
|---|---|
| Cosine metric | 0.8947 |
| Dice metric | 0.8941 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+392 more
